Chembase list of 866358 unique molecular structures

1-(4-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one

$$$$ Data

M. F.

C19H12ClNO4

Suppliers	Catalog Number
Apollo Scientific	OR26928

Database	Data ID
PubChem	5372568

M. W.

353.75588

CAS

Similarity

N/A

ID: 84102

5-bromo-2-hydroxy-N-(3,4,5-trichloropyridin-2-yl)benzamide

$$$$ Data

M. F.

C12H6BrCl3N2O2

Suppliers	Catalog Number
Apollo Scientific	OR26929

Database	Data ID
PubChem	2781451

M. W.

396.45124

CAS

Similarity

N/A

ID: 84103

N-(4-aminophenyl)-2-hydroxybenzamide

$$$$ Data

M. F.

C13H12N2O2

Suppliers	Catalog Number
Apollo Scientific	OR26930

Database	Data ID
PubChem	2781453

M. W.

228.24658

CAS

3679-65-0

Similarity

N/A

ID: 84104

2-oxo-2-phenylethyl 3-hydroxynaphthalene-2-carboxylate

$$$$ Data

M. F.

C19H14O4

Suppliers	Catalog Number
Apollo Scientific	OR26931

Database	Data ID
PubChem	598478

M. W.

306.31206

CAS

Similarity

N/A

ID: 84105

1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one

$$$$ Data

M. F.

C15H9Cl3O

Suppliers	Catalog Number
Apollo Scientific	OR26932

Database	Data ID
PubChem	5377989

M. W.

311.59036

CAS

Similarity

N/A

ID: 84106

1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one

$$$$ Data

M. F.

C15H9Cl3O

Suppliers	Catalog Number
Apollo Scientific	OR26933

Database	Data ID
PubChem	5377990

M. W.

311.59036

CAS

Similarity

N/A

ID: 84107

3-(2,6-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C16H12Cl2O

Suppliers	Catalog Number
Apollo Scientific	OR26934

Database	Data ID
PubChem	5377397

M. W.

291.17188

CAS

Similarity

N/A

ID: 84108

3-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C16H12Cl2O2

Suppliers	Catalog Number
Apollo Scientific	OR26935

Database	Data ID
PubChem	5346002

M. W.

307.17128

CAS

Similarity

N/A

ID: 84109

2-oxo-2-phenylethyl 2-chloro-5-nitrobenzoate

$$$$ Data

M. F.

C15H10ClNO5

Suppliers	Catalog Number
Apollo Scientific	OR26937

Database	Data ID
PubChem	736941

M. W.

319.6966

CAS

Similarity

N/A

ID: 84110

2-(4-chlorophenyl)-2-oxoethyl 1-hydroxynaphthalene-2-carboxylate

$$$$ Data

M. F.

C19H13ClO4

Suppliers	Catalog Number
Apollo Scientific	OR26938

Database	Data ID
PubChem	598477

M. W.

340.75712

CAS

Similarity

N/A

ID: 84111

1-(2-chlorophenyl)-3-(3-chlorophenyl)prop-2-en-1-one

$$$$ Data

M. F.

C15H10Cl2O

Suppliers	Catalog Number
Apollo Scientific	OR26939

Database	Data ID
PubChem	5709467

M. W.

277.1453

CAS

Similarity

N/A

ID: 84112

N-(4-chloro-3-nitrophenyl)-2-hydroxybenzamide

$$$$ Data

M. F.

C13H9ClN2O4

Suppliers	Catalog Number
Apollo Scientific	OR26940

Database	Data ID
PubChem	2781466

M. W.

292.67456

CAS

Similarity

N/A

ID: 84113

2-(4-chlorophenyl)-2-oxoethyl 4-chloro-3-nitrobenzoate

$$$$ Data

M. F.

C15H9Cl2NO5

Suppliers	Catalog Number
Apollo Scientific	OR26941

Database	Data ID
PubChem	1376700

M. W.

354.14166

CAS

Similarity

N/A

ID: 84114

cyclopentylthiourea

$$$$ Data

M. F.

C6H12N2S

Suppliers	Catalog Number
Apollo Scientific	OR26942
Enamine	EN300-05650

Database	Data ID
PubChem	736945

M. W.

144.23788

CAS

102936-57-2

Similarity

N/A

ID: 84115

3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one

$$$$ Data

M. F.

C15H10Cl2O

Suppliers	Catalog Number
Apollo Scientific	OR26943

Database	Data ID
PubChem	5377001

M. W.

277.1453

CAS

Similarity

N/A

ID: 84116

3-(3-chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C16H13ClO2

Suppliers	Catalog Number
Apollo Scientific	OR26944

Database	Data ID
PubChem	5709469

M. W.

272.72622

CAS

Similarity

N/A

ID: 84117

2,6-dibromo-4-nitrophenol

$$$$ Data More

M. F.

C6H3Br2NO3

Suppliers	Catalog Number
Sigma Aldrich	D42178
MP Biomedicals	05208120
Alfa Aesar	A12916

Database	Data ID
PubChem	7429

M. W.

296.90092

CAS

99-28-5

Similarity

N/A

ID: 84118

3-(2-chlorophenyl)-1-(2,4-dimethylphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C17H15ClO

Suppliers	Catalog Number
Apollo Scientific	OR26946

Database	Data ID
PubChem	5709470

M. W.

270.7534

CAS

Similarity

N/A

ID: 84119

3-(4-chlorophenyl)-1-(2,4-dimethylphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C17H15ClO

Suppliers	Catalog Number
Apollo Scientific	OR26947

Database	Data ID
PubChem	5372785

M. W.

270.7534

CAS

Similarity

N/A

ID: 84120

2-amino-6-methylpyrimidine-4-thiol

$$$$ Data

M. F.

C5H7N3S

Suppliers	Catalog Number
Apollo Scientific	OR26948

Database	Data ID
PubChem	2781477

M. W.

141.19418

CAS

Similarity

N/A

ID: 84121

7-hydroxy-4-phenyl-2H-chromen-2-one

$$$$ Data More

M. F.

C15H10O3

Suppliers	Catalog Number
Sigma Aldrich	576468
MP Biomedicals	05201625
Apollo Scientific	OR26949

Database	Data ID
PubChem	5357479

M. W.

238.2381

CAS

2555-30-8

Similarity

N/A

ID: 84122

2-[(3-chlorophenyl)amino]-3,4-dimethyl-1,3-thiazol-3-ium iodide

$$$$ Data

M. F.

C11H12ClIN2S

Suppliers	Catalog Number
Apollo Scientific	OR26950

Database	Data ID
PubChem	2781480

M. W.

366.64885

CAS

Similarity

N/A

ID: 84123

4-(4-chlorophenyl)-2-[(2,6-dimethylphenyl)amino]-3-methyl-1,3-thiazol-3-ium brom...

$$$$ Data

M. F.

C18H18BrClN2S

Suppliers	Catalog Number
Apollo Scientific	OR26951

Database	Data ID
PubChem	2781483

M. W.

409.77092

CAS

Similarity

N/A

ID: 84124

4-(4-chlorophenyl)-2-[(furan-2-ylmethyl)amino]-3-methyl-1,3-thiazol-3-ium bromid...

$$$$ Data

M. F.

C15H14BrClN2OS

Suppliers	Catalog Number
Apollo Scientific	OR26952

Database	Data ID
PubChem	2781486

M. W.

385.70646

CAS

Similarity

N/A

ID: 84125

pentachlorophenyl 2,4-dichlorobenzoate

$$$$ Data

M. F.

C13H3Cl7O2

Suppliers	Catalog Number
Apollo Scientific	OR26953

Database	Data ID
PubChem	228530

M. W.

439.33272

CAS

Similarity

N/A

ID: 84126

5-bromo-N-(4-chloro-3-nitrophenyl)-2-hydroxybenzamide

$$$$ Data

M. F.

C13H8BrClN2O4

Suppliers	Catalog Number
Apollo Scientific	OR26954

Database	Data ID
PubChem	608100

M. W.

371.57062

CAS

Similarity

N/A

ID: 84127

4-[3-(4-aminophenoxy)propoxy]aniline

$$$$ Data

M. F.

C15H18N2O2

Suppliers	Catalog Number
Apollo Scientific	OR26956

Database	Data ID
PubChem	572769

M. W.

258.31562

CAS

52980-20-8

Similarity

N/A

ID: 84128

4-[4-(4-aminophenoxy)butoxy]aniline

$$$$ Data

M. F.

C16H20N2O2

Suppliers	Catalog Number
Apollo Scientific	OR26957

Database	Data ID
PubChem	53351

M. W.

272.3422

CAS

Similarity

N/A

ID: 84129

2-chloro-N-(4-{[6-(2,4-dichlorophenoxy)hexyl]oxy}phenyl)acetamide

$$$$ Data

M. F.

C20H22Cl3NO3

Suppliers	Catalog Number
Apollo Scientific	OR26959

Database	Data ID
PubChem	2781495

M. W.

430.75258

CAS

Similarity

N/A

ID: 84130

ethyl 2-[4-(2-chloroacetamido)phenoxy]propanoate

$$$$ Data

M. F.

C13H16ClNO4

Suppliers	Catalog Number
Apollo Scientific	OR26960

Database	Data ID
PubChem	2781497

M. W.

285.72344

CAS

Similarity

N/A

ID: 84131

ethyl 2-[4-(trichloroprop-2-enamido)phenoxy]propanoate

$$$$ Data

M. F.

C14H14Cl3NO4

Suppliers	Catalog Number
Apollo Scientific	OR26961

Database	Data ID
PubChem	2781499

M. W.

366.62426

CAS

Similarity

N/A

ID: 84132

ethyl 2-[4-(trichloroprop-2-enamido)phenoxy]acetate

$$$$ Data

M. F.

C13H12Cl3NO4

Suppliers	Catalog Number
Apollo Scientific	OR26962

Database	Data ID
PubChem	2781500

M. W.

352.59768

CAS

Similarity

N/A

ID: 84133

3-bromo-N-(4-bromo-3-chlorophenyl)propanamide

$$$$ Data

M. F.

C9H8Br2ClNO

Suppliers	Catalog Number
Apollo Scientific	OR26963

Database	Data ID
PubChem	2781502

M. W.

341.42692

CAS

Similarity

N/A

ID: 84134

3-bromo-N-(4-bromo-3-methylphenyl)propanamide

$$$$ Data

M. F.

C10H11Br2NO

Suppliers	Catalog Number
Apollo Scientific	OR26964

Database	Data ID
PubChem	2781504

M. W.

321.00844

CAS

Similarity

N/A

ID: 84135

1-(3,5-dichloro-2-methoxyphenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one

$$$$ Data

M. F.

C16H10Cl4O2

Suppliers	Catalog Number
Apollo Scientific	OR26965

Database	Data ID
PubChem	5709472

M. W.

376.0614

CAS

Similarity

N/A

ID: 84136

3-bromo-N-(4-bromophenyl)propanamide

$$$$ Data

M. F.

C9H9Br2NO

Suppliers	Catalog Number
Apollo Scientific	OR26966

Database	Data ID
PubChem	263607

M. W.

306.98186

CAS

Similarity

N/A

ID: 84137

ethyl 2-(3-methylphenoxy)propanoate

$$$$ Data

M. F.

C12H16O3

Suppliers	Catalog Number
Apollo Scientific	OR26968

Database	Data ID
PubChem	2781510

M. W.

208.25364

CAS

Similarity

N/A

ID: 84138

3-methyl-4-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrazol-5-one

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR26969

Database	Data ID
PubChem	225373

M. W.

138.1671

CAS

Similarity

N/A

ID: 84139

3,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one

$$$$ Data

M. F.

C5H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR26970

Database	Data ID
PubChem	97947

M. W.

112.12982

CAS

6628-22-4

Similarity

N/A

ID: 84140

5-(2-chloroacetamido)-2-(2-methoxyethoxy)benzoic acid

$$$$ Data

M. F.

C12H14ClNO5

Suppliers	Catalog Number
Apollo Scientific	OR26971

Database	Data ID
PubChem	2781514

M. W.

287.69626

CAS

Similarity

N/A

ID: 84141

3-methyl-4-propyl-4,5-dihydro-1H-pyrazol-5-one

$$$$ Data

M. F.

C7H12N2O

Suppliers	Catalog Number
Apollo Scientific	OR26972

Database	Data ID
PubChem	2781516

M. W.

140.18298

CAS

Similarity

N/A

ID: 84142

diphenyl (1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)phosphonate

$$$$ Data

M. F.

C21H20ClN2O3PS

Suppliers	Catalog Number
Apollo Scientific	OR26973

Database	Data ID
PubChem	2781518

M. W.

446.886861

CAS

Similarity

N/A

ID: 84143

diphenyl (1-{[(2-phenylethyl)carbamothioyl]amino}ethyl)phosphonate

$$$$ Data

M. F.

C23H25N2O3PS

Suppliers	Catalog Number
Apollo Scientific	OR26974

Database	Data ID
PubChem	2781520

M. W.

440.494961

CAS

Similarity

N/A

ID: 84144

4-(5-formylfuran-2-yl)benzene-1-sulfonamide

$$$$ Data

M. F.

C11H9NO4S

Suppliers	Catalog Number
Apollo Scientific	OR26975
InterBioScreen	BB_SC-0655

Database	Data ID
PubChem	670478

M. W.

251.25846

CAS

Similarity

N/A

ID: 84145

4-{5-[3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl]furan-2-yl}benzene-1-sulfonamide

$$$$ Data

M. F.

C19H14ClNO4S

Suppliers	Catalog Number
Apollo Scientific	OR26976

Database	Data ID
PubChem	5709474

M. W.

387.83676

CAS

Similarity

N/A

ID: 84146

3-bromo-N-(2,5-dimethoxyphenyl)propanamide

$$$$ Data

M. F.

C11H14BrNO3

Suppliers	Catalog Number
Apollo Scientific	OR26978

Database	Data ID
PubChem	2781527

M. W.

288.13776

CAS

Similarity

N/A

ID: 84147

4-(2,6-dimethylmorpholin-4-yl)-3-nitroaniline

$$$$ Data

M. F.

C12H17N3O3

Suppliers	Catalog Number
Apollo Scientific	OR2698

Database	Data ID
PubChem	44118813

M. W.

251.28168

CAS

Similarity

N/A

ID: 84148

3-bromo-N-(2,6-dimethylphenyl)propanamide

$$$$ Data

M. F.

C11H14BrNO

Suppliers	Catalog Number
Apollo Scientific	OR26980

Database	Data ID
PubChem	2781531

M. W.

256.13896

CAS

Similarity

N/A

ID: 84149

4-chloro-2-[(dimethylhydrazin-1-ylidene)methyl]phenol

$$$$ Data

M. F.

C9H11ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR26981

Database	Data ID
PubChem	5709475

M. W.

198.64944

CAS

Similarity

N/A

ID: 84150

(1-{[(2,3-dichlorophenyl)carbamothioyl]amino}ethyl)phosphonic acid

$$$$ Data

M. F.

C9H11Cl2N2O3PS

Suppliers	Catalog Number
Apollo Scientific	OR26982

Database	Data ID
PubChem	2781535

M. W.

329.140001

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