Chembase list of 866358 unique molecular structures

dysprosium(3+) ion tritrifluoromethanesulfonate

$$$$ Data

M. F.

C3DyF9O9S3

Suppliers	Catalog Number
Sigma Aldrich	425664
Alfa Aesar	L20252

Database	Data ID
PubChem	9938788

M. W.

609.7073288

CAS

139177-62-1

Similarity

N/A

ID: 148852

dichloroeuropium

$$$$ Data

M. F.

Cl2Eu

Suppliers	Catalog Number
Sigma Aldrich	431850

Database	Data ID
PubChem	83719

M. W.

222.87

CAS

13769-20-5

Similarity

N/A

ID: 148853

O-{1,3-bis[(²H)hydroxy]propan-2-yl}(²H)

$$$$ Data

M. F.

C3H8O3

Suppliers	Catalog Number
Sigma Aldrich	306061

Database	Data ID
PubChem	16211950

M. W.

92.09382

CAS

7325-16-8

Similarity

N/A

ID: 148854

phenyl N-carbonylcarbamate

$$$$ Data

M. F.

C8H5NO3

Suppliers	Catalog Number
Sigma Aldrich	478423

Database	Data ID
PubChem	4148962

M. W.

163.1302

CAS

5843-43-6

Similarity

N/A

ID: 148855

(propanoyloxy)palladio propanoate

$$$$ Data

M. F.

C6H10O4Pd

Suppliers	Catalog Number
Sigma Aldrich	481165

Database	Data ID
PubChem	71311366

M. W.

252.5612

CAS

3386-65-0

Similarity

N/A

ID: 148856

bis(cyclopenta-2,4-dien-1-ide); dimethylzirconiumbis(ylium)

$$$$ Data

M. F.

C12H16Zr

Suppliers	Catalog Number
Sigma Aldrich	483656

Database	Data ID
PubChem	71311367

M. W.

251.47944

CAS

12636-72-5

Similarity

N/A

ID: 148857

(potassiosulfanyl)(¹⁵N)carbonitrile

$$$$ Data

M. F.

CKNS

Suppliers	Catalog Number
Sigma Aldrich	486140

Database	Data ID
PubChem	23696274

M. W.

99.16676374

CAS

143673-61-4

Similarity

N/A

ID: 148858

(²H₄)butanedi(²H)oic acid

$$$$ Data

M. F.

C4H6O4

Suppliers	Catalog Number
Sigma Aldrich	488356

Database	Data ID
PubChem	16213392

M. W.

118.08804

CAS

21668-90-6

Similarity

N/A

ID: 148859

disodium (2,3-¹³C₂)but-2-enedioate

$$$$ Data

M. F.

C4H2Na2O4

Suppliers	Catalog Number
Sigma Aldrich	489468

Database	Data ID
PubChem	17749165

M. W.

162.02112968

CAS

312623-83-9

Similarity

N/A

ID: 148860

chlorocobalt; tris(triphenylphosphane)

$$$$

M. F.

C54H45ClCoP3

Suppliers	Catalog Number
Sigma Aldrich	361844

Database

Data ID

M. W.

881.242583

CAS

26305-75-9

Similarity

N/A

ID: 148861

1,2,3,4,5-pentathia-6-titanacyclohexane-6,6-bis(ylium); bis(cyclopenta-2,4-dien-...

$$$$ Data

M. F.

C10H10S5Ti

Suppliers	Catalog Number
Sigma Aldrich	364290

Database	Data ID
PubChem	71311368

M. W.

338.3784

CAS

12116-82-4

Similarity

N/A

ID: 148862

tridodecyl(methyl)azanium chloride

$$$$ Data

M. F.

C37H78ClN

Suppliers	Catalog Number
Sigma Aldrich	367729 91661 91662

Database	Data ID
PubChem	81601

M. W.

572.47492

CAS

7173-54-8

Similarity

N/A

ID: 148863

2-bromoethyl chloroformate

$$$$ Data

M. F.

C3H4BrClO2

Suppliers	Catalog Number
Sigma Aldrich	368970

Database	Data ID
PubChem	78528

M. W.

187.41966

CAS

4801-27-8

Similarity

N/A

ID: 148864

3-chloro-N,N-bis(trimethylsilyl)aniline

$$$$ Data

M. F.

C12H22ClNSi2

Suppliers	Catalog Number
Sigma Aldrich	371327

Database	Data ID
PubChem	4641096

M. W.

271.93378

CAS

7522-27-2

Similarity

N/A

ID: 148865

plumbanethione

$$$$ Data

M. F.

PbS

Suppliers	Catalog Number
Sigma Aldrich	372595

Database	Data ID
PubChem	14819

M. W.

239.265

CAS

1314-87-0

Similarity

N/A

ID: 148866

methoxydimethyloctylsilane

$$$$ Data

M. F.

C11H26OSi

Suppliers	Catalog Number
Sigma Aldrich	375977

Database	Data ID
PubChem	175558

M. W.

202.40904

CAS

93804-29-6

Similarity

N/A

ID: 148867

ammonium tetraphenylboranuide

$$$$ Data

M. F.

C24H24BN

Suppliers	Catalog Number
Sigma Aldrich	380520

Database	Data ID
PubChem	14496924

M. W.

337.26506

CAS

14637-34-4

Similarity

N/A

ID: 148868

1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium dibromide

$$$$ Data

M. F.

C14H18Br2N2

Suppliers	Catalog Number
Sigma Aldrich	384097

Database	Data ID
PubChem	11474262

M. W.

374.11412

CAS

53721-12-3

Similarity

N/A

ID: 148869

$$$$ Data

M. F.

C19H14ClO

Suppliers	Catalog Number
Sigma Aldrich	529389
Alfa Aesar	L19602

Database	Data ID
PubChem	298659

M. W.

293.76686

CAS

Similarity

N/A

ID: 148870

(1S,2S,4R)-2-isothiocyanatobicyclo[2.2.1]heptane

$$$$ Data

M. F.

C8H11NS

Suppliers	Catalog Number
Sigma Aldrich	530859

Database	Data ID
PubChem	11869712

M. W.

153.24464

CAS

14370-23-1

Similarity

N/A

ID: 148871

1-(benzyloxy)-3-iodobenzene

$$$$ Data

M. F.

C13H11IO

Suppliers	Catalog Number
Sigma Aldrich	532193
Alfa Aesar	L17442

Database	Data ID
PubChem	4228019

M. W.

310.13031

CAS

107623-21-2

Similarity

N/A

ID: 148872

bromo[2-(1,3-dioxan-2-yl)ethyl]zinc

$$$$ Data

M. F.

C6H11BrO2Zn

Suppliers	Catalog Number
Sigma Aldrich	533556
Alfa Aesar	H58912

Database	Data ID
PubChem	16216971

M. W.

260.43434

CAS

307531-82-4

Similarity

N/A

ID: 148873

(3'aR,4'R,6'aR)-4'-(hydroxymethyl)-tetrahydrospiro[cyclohexane-1,2'-furo[3,4-d][...

$$$$ Data

M. F.

C11H16O5

Suppliers	Catalog Number
Sigma Aldrich	536253

Database	Data ID
PubChem	14374540

M. W.

228.24174

CAS

27304-20-7

Similarity

N/A

ID: 148874

2-(2-ethoxyethoxy)ethyl acetate

$$$$ Data

M. F.

C8H16O4

Suppliers	Catalog Number
Sigma Aldrich	537527 32240
Alfa Aesar	L13446

Database	Data ID
PubChem	8165

M. W.

176.21024

CAS

112-15-2

Similarity

N/A

ID: 148875

$$$$ Data

M. F.

C13H17O3

Suppliers	Catalog Number
Sigma Aldrich	540374

Database	Data ID
PubChem	85795

M. W.

221.27228

CAS

Similarity

N/A

ID: 148876

N-{1-azabicyclo[2.2.2]octan-3-yl}-3-chlorobenzamide

$$$$ Data

M. F.

C14H17ClN2O

Suppliers	Catalog Number
Sigma Aldrich	419192

Database	Data ID
PubChem	2802540

M. W.

264.75058

CAS

120570-07-2

Similarity

N/A

ID: 148877

(1,2,3,4,5,6-¹³C₆)phenol

$$$$ Data

M. F.

C6H6O

Suppliers	Catalog Number
Sigma Aldrich	490504
TRC	P318002

Database	Data ID
PubChem	12205407

M. W.

100.06716903

CAS

89059-34-7

Similarity

N/A

ID: 148878

1-bromo-4-(dimethoxymethyl)benzene

$$$$ Data

M. F.

C9H11BrO2

Suppliers	Catalog Number
Sigma Aldrich	492744
Chemik	CHB18559
A&J Pharmtech	AJA-O7957 AJA-O8827

Database	Data ID
PubChem	688342

M. W.

231.08644

CAS

24856-58-4

Similarity

N/A

ID: 148879

triphenoxyalumane

$$$$ Data

M. F.

C18H15AlO3

Suppliers	Catalog Number
Sigma Aldrich	495131

Database	Data ID
PubChem	16685018

M. W.

306.291438

CAS

15086-27-8

Similarity

N/A

ID: 148880

bromo(2-methylpropyl)zinc

$$$$ Data

M. F.

C4H9BrZn

Suppliers	Catalog Number
Sigma Aldrich	498963

Database	Data ID
PubChem	3564544

M. W.

202.39826

CAS

126403-67-6

Similarity

N/A

ID: 148881

2-bromo-1,4-dihydronaphthalene-1,4-dione

$$$$ Data

M. F.

C10H5BrO2

Suppliers	Catalog Number
Sigma Aldrich	510300
Bide Pharmatech	BD234369

Database	Data ID
PubChem	74944

M. W.

237.0495

CAS

2065-37-4

Similarity

N/A

ID: 148882

tetrapotassium hexacyanorutheniumtetrauide hydrate

$$$$ Data

M. F.

C6H2K4N6ORu

Suppliers	Catalog Number
Sigma Aldrich	378232

Database	Data ID
PubChem	71311369

M. W.

431.58288

CAS

339268-21-2

Similarity

N/A

ID: 148883

1-(6-methoxynaphthalen-2-yl)propan-1-one

$$$$ Data

M. F.

C14H14O2

Suppliers	Catalog Number
Sigma Aldrich	379360

Database	Data ID
PubChem	75913

M. W.

214.25976

CAS

2700-47-2

Similarity

N/A

ID: 148884

pentane-1,3-diamine

$$$$ Data

M. F.

C5H14N2

Suppliers	Catalog Number
Sigma Aldrich	381675 33205

Database	Data ID
PubChem	102444

M. W.

102.17806

CAS

589-37-7

Similarity

N/A

ID: 148885

ethoxy(methyl)phosphinic acid

$$$$ Data

M. F.

C3H9O3P

Suppliers	Catalog Number
Sigma Aldrich	386561

Database	Data ID
PubChem	449085

M. W.

124.075521

CAS

1832-53-7

Similarity

N/A

ID: 148886

[(hydroxydioxochromio)oxy]chromiumoylol; bis(quinoline)

$$$$ Data

M. F.

C18H16Cr2N2O7

Suppliers	Catalog Number
Sigma Aldrich	390135

Database	Data ID
PubChem	11698588

M. W.

476.32104

CAS

56549-24-7

Similarity

N/A

ID: 148887

1-(pyren-1-yl)ethan-1-one

$$$$ Data

M. F.

C18H12O

Suppliers	Catalog Number
Sigma Aldrich	391425
Alfa Aesar	B22483

Database	Data ID
PubChem	96251

M. W.

244.28728

CAS

3264-21-9

Similarity

N/A

ID: 148888

methyl[(1R)-1-phenylethyl]amine

$$$$ Data

M. F.

C9H13N

Suppliers	Catalog Number
Sigma Aldrich	394009 68620

Database	Data ID
PubChem	2060888

M. W.

135.20622

CAS

5933-40-4

Similarity

N/A

ID: 148889

lithium(1+) ion benzenolate

$$$$ Data

M. F.

C6H5LiO

Suppliers	Catalog Number
Sigma Aldrich	400378

Database	Data ID
PubChem	11815295

M. W.

100.0443

CAS

555-24-8

Similarity

N/A

ID: 148890

chlorogold; trimethylphosphane

$$$$ Data

M. F.

C3H9AuClP

Suppliers	Catalog Number
Sigma Aldrich	404217

Database	Data ID
PubChem	11702286

M. W.

308.496871

CAS

15278-97-4

Similarity

N/A

ID: 148891

trimethoxy-1,3,5-triazine

$$$$ Data

M. F.

C6H9N3O3

Suppliers	Catalog Number
Sigma Aldrich	407879

Database	Data ID
PubChem	13419

M. W.

171.15396

CAS

877-89-4

Similarity

N/A

ID: 148892

trichloro(nitroso)ruthenium hydrate

$$$$ Data

M. F.

Cl3H2NO2Ru

Suppliers	Catalog Number
Sigma Aldrich	409057

Database	Data ID
PubChem	16212639

M. W.

255.45038

CAS

32535-76-5

Similarity

N/A

ID: 148893

manganese(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)

$$$$ Data

M. F.

C20H30Mn

Suppliers	Catalog Number
Sigma Aldrich	415405

Database	Data ID
PubChem	50919662

M. W.

325.390249

CAS

67506-86-9

Similarity

N/A

ID: 148894

zirconium(4+) ion bis(cyclopenta-2,4-dien-1-ide) oxolane ditrifluoromethanesulfo...

$$$$ Data

M. F.

C16H18F6O7S2Zr

Suppliers	Catalog Number
Sigma Aldrich	416673 96602

Database	Data ID
PubChem	71311370

M. W.

591.6543392

CAS

89672-77-5

Similarity

N/A

ID: 148895

bis(acetyloxy)samario acetate hydrate

$$$$ Data

M. F.

C6H11O7Sm

Suppliers	Catalog Number
Sigma Aldrich	325872

Database	Data ID
PubChem	71311371

M. W.

345.50734

CAS

100587-91-5

Similarity

N/A

ID: 148896

(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

$$$$ Data

M. F.

C10H14O4

Suppliers	Catalog Number
Sigma Aldrich	328227 21284

Database	Data ID
PubChem	719817

M. W.

198.21576

CAS

13429-83-9

Similarity

N/A

ID: 148897

(2R)-pentan-2-ol

$$$$ Data

M. F.

C5H12O

Suppliers	Catalog Number
Sigma Aldrich	330523 76940

Database	Data ID
PubChem	7014876

M. W.

88.14818

CAS

31087-44-2

Similarity

N/A

ID: 148898

dipotassium heptafluoroniobiumdiuide

$$$$ Data

M. F.

F7K2Nb

Suppliers	Catalog Number
Sigma Aldrich	336645
Alfa Aesar	51110

Database	Data ID
PubChem	44890706

M. W.

304.0918024

CAS

16924-03-1

Similarity

N/A

ID: 148899

(2E)-3-(3-bromophenyl)-N-ethylprop-2-enamide

$$$$ Data

M. F.

C11H12BrNO

Suppliers	Catalog Number
Sigma Aldrich	346330

Database	Data ID
PubChem	688145

M. W.

254.12308

CAS

58473-74-8

Similarity

N/A

ID: 148900

trimethylsilyl 2-methylprop-2-enoate

$$$$ Data

M. F.

C7H14O2Si

Suppliers	Catalog Number
Sigma Aldrich	347493 64215

Database	Data ID
PubChem	2733839

M. W.

158.27036

CAS

13688-56-7

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