Chembase list of 866358 unique molecular structures

bis[dimethyl(3,3,3-trifluoropropyl)silyl]amine

$$$$ Data

M. F.

C10H21F6NSi2

Suppliers	Catalog Number
Apollo Scientific	PC2297

Database	Data ID
PubChem	170213

M. W.

325.4418592

CAS

39482-87-6

Similarity

N/A

ID: 94752

2-bromo-3,5-bis(trifluoromethyl)aniline

$$$$ Data

M. F.

C8H4BrF6N

Suppliers	Catalog Number
Apollo Scientific	PC2298
Chemik	CHB80621

Database	Data ID
PubChem	4305448

M. W.

308.0184792

CAS

174824-16-9

Similarity

N/A

ID: 94753

3-(4-chlorophenyl)-1-(2,6-difluorobenzoyl)urea

$$$$ Data

M. F.

C14H9ClF2N2O2

Suppliers	Catalog Number
Sigma Aldrich	45446
Apollo Scientific	PC2299
Chemik	CHO0109

Database	Data ID
Wikipedia	Diflubenzuron
PubChem	37123

M. W.

310.6832664

CAS

35367-38-5

Similarity

N/A

ID: 94754

2-bromo-3,5-bis(trifluoromethyl)phenol

$$$$ Data

M. F.

C8H3BrF6O

Suppliers	Catalog Number
Apollo Scientific	PC2302

Database	Data ID
PubChem	26596583

M. W.

309.0032392

CAS

Similarity

N/A

ID: 94755

1-bromo-2-chloro-3-(trifluoromethyl)benzene

$$$$ Data

M. F.

C7H3BrClF3

Suppliers	Catalog Number
Alfa Aesar	H26700
Apollo Scientific	PC2303

Database	Data ID
PubChem	3283173

M. W.

259.4509296

CAS

56131-47-6

Similarity

N/A

ID: 94756

bromo(3-fluoro-4-methoxyphenyl)magnesium

$$$$ Data

M. F.

C7H6BrFMgO

Suppliers	Catalog Number
Sigma Aldrich	563706
Apollo Scientific	PC2304

Database	Data ID
PubChem	2778214

M. W.

229.3293432

CAS

112780-67-3

Similarity

N/A

ID: 94757

2-bromo-4-fluorobenzene-1-sulfonyl chloride

$$$$ Data More

M. F.

C6H3BrClFO2S

Suppliers	Catalog Number
Sigma Aldrich	558419
Alfa Aesar	L19713
Apollo Scientific	PC2305

Database	Data ID
PubChem	2778216

M. W.

273.5072232

CAS

351003-45-7

Similarity

N/A

ID: 94758

1-chloro-2-fluoro-3-iodobenzene

$$$$ Data

M. F.

C6H3ClFI

Suppliers	Catalog Number
Sigma Aldrich	558656
Apollo Scientific	PC2311

Database	Data ID
PubChem	2778219

M. W.

256.4438932

CAS

72373-82-1

Similarity

N/A

ID: 94759

2,4-dibromo-3,3,4,4-tetrafluorobut-1-ene

$$$$ Data

M. F.

C4H2Br2F4

Suppliers	Catalog Number
Apollo Scientific	PC2316

Database	Data ID
PubChem	2736790

M. W.

285.8602928

CAS

161958-58-3

Similarity

N/A

ID: 94760

(3-bromophenyl)(3-chloro-5-fluorophenyl)methanone

$$$$ Data

M. F.

C13H7BrClFO

Suppliers	Catalog Number
Apollo Scientific	PC2322

Database	Data ID
PubChem	2756877

M. W.

313.5494832

CAS

Similarity

N/A

ID: 94761

2,3-dibromo-1,1,3,3-tetrafluoroprop-1-ene

$$$$ Data

M. F.

C3Br2F4

Suppliers	Catalog Number
Alfa Aesar	B21550
Apollo Scientific	PC2322G

Database	Data ID
PubChem	2736793

M. W.

271.8337128

CAS

666-40-0

Similarity

N/A

ID: 94762

5-bromo-1-chloro-3-fluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene

$$$$ Data

M. F.

C9H3BrClF7O

Suppliers	Catalog Number
Apollo Scientific	PC2324

Database	Data ID
PubChem	44717338

M. W.

375.4653424

CAS

Similarity

N/A

ID: 94763

4-(2-bromoprop-2-en-1-yl)-2-chloro-1-fluorobenzene

$$$$ Data

M. F.

C9H7BrClF

Suppliers	Catalog Number
Apollo Scientific	PC2325

Database	Data ID
PubChem	2756881

M. W.

249.5072832

CAS

Similarity

N/A

ID: 94764

1-(2-bromoprop-2-en-1-yl)-3-chloro-5-fluorobenzene

$$$$ Data

M. F.

C9H7BrClF

Suppliers	Catalog Number
Apollo Scientific	PC2327

Database	Data ID
PubChem	2756882

M. W.

249.5072832

CAS

Similarity

N/A

ID: 94765

4-(2-bromoprop-2-en-1-yl)-1-chloro-2-fluorobenzene

$$$$ Data

M. F.

C9H7BrClF

Suppliers	Catalog Number
Apollo Scientific	PC2328

Database	Data ID
PubChem	2756883

M. W.

249.5072832

CAS

Similarity

N/A

ID: 94766

3-bromo-3-chloro-1,1,1-trifluoro-2-(trifluoromethyl)propane

$$$$ Data

M. F.

C4H2BrClF6

Suppliers	Catalog Number
Apollo Scientific	PC2329

Database	Data ID
PubChem	44717339

M. W.

279.4060992

CAS

Similarity

N/A

ID: 94767

1,1,1,4,4,5,5,5-octafluoropent-2-ene

$$$$ Data

M. F.

C5H2F8

Suppliers	Catalog Number
Apollo Scientific	PC2330

Database	Data ID
PubChem	18520951

M. W.

214.0566056

CAS

Similarity

N/A

ID: 94768

1,2-dibromo-3,3,3-trifluoroprop-1-ene

$$$$ Data

M. F.

C3HBr2F3

Suppliers	Catalog Number
Apollo Scientific	PC2331D

Database	Data ID
PubChem	5702847

M. W.

253.8432496

CAS

431-22-1

Similarity

N/A

ID: 94769

dibutylazanium; tetrafluoroboranuide

$$$$ Data

M. F.

C8H20BF4N

Suppliers	Catalog Number
MP Biomedicals	05208109
Alfa Aesar	B20251
Apollo Scientific	PC2332

Database	Data ID
PubChem	25510

M. W.

217.0557128

CAS

12107-76-5

Similarity

N/A

ID: 94770

(4-bromophenyl)(3-chloro-5-fluorophenyl)methanone

$$$$ Data

M. F.

C13H7BrClFO

Suppliers	Catalog Number
Apollo Scientific	PC2333

Database	Data ID
PubChem	2756878

M. W.

313.5494832

CAS

Similarity

N/A

ID: 94771

2,4-dichloro-1-(trifluoromethyl)benzene

$$$$ Data More

M. F.

C7H3Cl2F3

Suppliers	Catalog Number
Sigma Aldrich	152250
Alfa Aesar	A16154
Apollo Scientific	PC2335

Database	Data ID
PubChem	9443

M. W.

214.9999296

CAS

320-60-5

Similarity

N/A

ID: 94772

2-bromo-3-chloro-1,1,1-trifluoropropane

$$$$ Data

M. F.

C3H3BrClF3

Suppliers	Catalog Number
Apollo Scientific	PC2337

Database	Data ID
PubChem	44717340

M. W.

211.4081296

CAS

Similarity

N/A

ID: 94773

1,2-bis(bromodifluoromethoxy)-1,1,2,2-tetrafluoroethane

$$$$ Data

M. F.

C4Br2F8O2

Suppliers	Catalog Number
Apollo Scientific	PC2338

Database	Data ID
PubChem	2778910

M. W.

391.8368256

CAS

330562-48-6

Similarity

N/A

ID: 94774

3-bromo-3-chloro-1,1,1-trifluoropropane

$$$$ Data

M. F.

C3H3BrClF3

Suppliers	Catalog Number
Apollo Scientific	PC2342

Database	Data ID
PubChem	18356503

M. W.

211.4081296

CAS

Similarity

N/A

ID: 94775

2,2,3,3,3-pentafluoropropyl acetate

$$$$ Data

M. F.

C5H5F5O2

Suppliers	Catalog Number
Apollo Scientific	PC2343

Database	Data ID
PubChem	26985490

M. W.

192.084016

CAS

Similarity

N/A

ID: 94776

1-(3-fluoropropanesulfonyl)-4-methylbenzene

$$$$ Data

M. F.

C10H13FO2S

Suppliers	Catalog Number
Apollo Scientific	PC2344

Database	Data ID
PubChem	21057514

M. W.

216.2724232

CAS

Similarity

N/A

ID: 94777

(3-bromophenyl)(3,4-difluorophenyl)methanone

$$$$ Data

M. F.

C13H7BrF2O

Suppliers	Catalog Number
Apollo Scientific	PC2350

Database	Data ID
PubChem	2756917

M. W.

297.0948864

CAS

Similarity

N/A

ID: 94778

(3-bromophenyl)(3,5-difluorophenyl)methanone

$$$$ Data

M. F.

C13H7BrF2O

Suppliers	Catalog Number
Apollo Scientific	PC2351

Database	Data ID
PubChem	2756918

M. W.

297.0948864

CAS

Similarity

N/A

ID: 94779

(4-bromophenyl)(3,4-difluorophenyl)methanone

$$$$ Data

M. F.

C13H7BrF2O

Suppliers	Catalog Number
Apollo Scientific	PC2352

Database	Data ID
PubChem	2756919

M. W.

297.0948864

CAS

Similarity

N/A

ID: 94780

(3S,4S)-1,1,2,2,3,4-hexafluorocyclobutane

$$$$ Data

M. F.

C4H2F6

Suppliers	Catalog Number
Apollo Scientific	PC2357

Database	Data ID
PubChem	2778220

M. W.

164.0490992

CAS

23012-94-4

Similarity

N/A

ID: 94781

(4-bromophenyl)(3,5-difluorophenyl)methanone

$$$$ Data

M. F.

C13H7BrF2O

Suppliers	Catalog Number
Apollo Scientific	PC2358

Database	Data ID
PubChem	2756920

M. W.

297.0948864

CAS

Similarity

N/A

ID: 94782

1-bromo-4-(2-bromo-1,1-difluoroethyl)benzene

$$$$ Data

M. F.

C8H6Br2F2

Suppliers	Catalog Number
Apollo Scientific	PC2361

Database	Data ID
PubChem	44717341

M. W.

299.9380464

CAS

471246-90-9

Similarity

N/A

ID: 94783

1-(2-bromo-1,1-difluoroethyl)-4-fluorobenzene

$$$$ Data

M. F.

C8H6BrF3

Suppliers	Catalog Number
Apollo Scientific	PC2362

Database	Data ID
PubChem	23237837

M. W.

239.0324496

CAS

Similarity

N/A

ID: 94784

5-bromo-2-(difluoromethoxy)benzaldehyde

$$$$ Data

M. F.

C8H5BrF2O2

Suppliers	Catalog Number
Apollo Scientific	PC2363
Enamine	EN300-07859

Database	Data ID
PubChem	2064136

M. W.

251.0249064

CAS

Similarity

N/A

ID: 94785

{2-[(trifluoromethyl)sulfanyl]phenyl}methanamine

$$$$ Data

M. F.

C8H8F3NS

Suppliers	Catalog Number
Apollo Scientific	PC2364

Database	Data ID
PubChem	2777871

M. W.

207.2160296

CAS

Similarity

N/A

ID: 94786

(bromodifluoromethyl)triphenylphosphanium bromide

$$$$ Data

M. F.

C19H15Br2F2P

Suppliers	Catalog Number
Apollo Scientific	PC2366

Database	Data ID
PubChem	2733427

M. W.

472.1009674

CAS

58201-66-4

Similarity

N/A

ID: 94787

2-(2-bromo-4,5-difluorophenyl)acetic acid

$$$$ Data

M. F.

C8H5BrF2O2

Suppliers	Catalog Number
Apollo Scientific	PC2367
Chemik	CHB15411

Database	Data ID
PubChem	3732964

M. W.

251.0249064

CAS

883502-07-6

Similarity

N/A

ID: 94788

2-(3-bromo-2,6-difluorophenyl)-1,3-dioxolane

$$$$ Data

M. F.

C9H7BrF2O2

Suppliers	Catalog Number
Apollo Scientific	PC2368

Database	Data ID
PubChem	40427089

M. W.

265.0514864

CAS

Similarity

N/A

ID: 94789

5-bromo-1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)benzene

$$$$ Data

M. F.

C9H3BrF8O

Suppliers	Catalog Number
Apollo Scientific	PC2369

Database	Data ID
PubChem	15219976

M. W.

359.0107456

CAS

161045-77-8

Similarity

N/A

ID: 94790

4-(2-bromoprop-2-en-1-yl)-1,2-difluorobenzene

$$$$ Data

M. F.

C9H7BrF2

Suppliers	Catalog Number
Apollo Scientific	PC2371

Database	Data ID
PubChem	2756922

M. W.

233.0526864

CAS

Similarity

N/A

ID: 94791

1-(2-bromoprop-2-en-1-yl)-3,5-difluorobenzene

$$$$ Data

M. F.

C9H7BrF2

Suppliers	Catalog Number
Apollo Scientific	PC2372

Database	Data ID
PubChem	2756923

M. W.

233.0526864

CAS

Similarity

N/A

ID: 94792

(3-bromophenyl)bis(3-fluorophenyl)methanol

$$$$ Data

M. F.

C19H13BrF2O

Suppliers	Catalog Number
Apollo Scientific	PC2373

Database	Data ID
PubChem	2756924

M. W.

375.2067264

CAS

Similarity

N/A

ID: 94793

(3-bromophenyl)bis(4-fluorophenyl)methanol

$$$$ Data

M. F.

C19H13BrF2O

Suppliers	Catalog Number
Apollo Scientific	PC2374

Database	Data ID
PubChem	2756925

M. W.

375.2067264

CAS

Similarity

N/A

ID: 94794

(4-bromophenyl)bis(3-fluorophenyl)methanol

$$$$ Data

M. F.

C19H13BrF2O

Suppliers	Catalog Number
Apollo Scientific	PC2375

Database	Data ID
PubChem	2756926

M. W.

375.2067264

CAS

Similarity

N/A

ID: 94795

(4-bromophenyl)bis(4-fluorophenyl)methanol

$$$$ Data

M. F.

C19H13BrF2O

Suppliers	Catalog Number
Apollo Scientific	PC2377

Database	Data ID
PubChem	2756927

M. W.

375.2067264

CAS

Similarity

N/A

ID: 94796

2-fluoronaphthalene

$$$$ Data

M. F.

C10H7F

Suppliers	Catalog Number
Sigma Aldrich	442349
Apollo Scientific	PC2378
Life Chemicals	F2185-0015

Database	Data ID
PubChem	67583

M. W.

146.1609832

CAS

323-09-1

Similarity

N/A

ID: 94797

4-(difluoromethoxy)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H5ClF2O3S

Suppliers	Catalog Number
Sigma Aldrich	552267
Apollo Scientific	PC2381

Database	Data ID
PubChem	2778223

M. W.

242.6276064

CAS

351003-34-4

Similarity

N/A

ID: 94798

3-(difluoromethoxy)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H5ClF2O3S

Suppliers	Catalog Number
Sigma Aldrich	554405
Apollo Scientific	PC2382
Chemik	CHB66461

Database	Data ID
PubChem	2778226

M. W.

242.6276064

CAS

351003-38-8

Similarity

N/A

ID: 94799

2-bromo-1-fluoro-3,5-dimethoxybenzene

$$$$ Data

M. F.

C8H8BrFO2

Suppliers	Catalog Number
Apollo Scientific	PC2384

Database	Data ID
PubChem	688225

M. W.

235.0503232

CAS

206860-47-1

Similarity

N/A

ID: 94800

1-bromo-2,5-dimethyl-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H8BrF3

Suppliers	Catalog Number
Apollo Scientific	PC2385

Database	Data ID
PubChem	44717342

M. W.

253.0590296

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified