Chembase list of 866358 unique molecular structures

1-methyl-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1H-pyrazole

$$$$

M. F.

C11H19BN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16768

Database

Data ID

M. W.

222.09176

CAS

Similarity

N/A

ID: 800752

1-methyl-4-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1H-1,2,3-triazole

$$$$

M. F.

C10H18BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16769

Database

Data ID

M. W.

223.07982

CAS

Similarity

N/A

ID: 800753

1-methyl-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1H-1,2,3-triazole

$$$$

M. F.

C10H18BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16770

Database

Data ID

M. W.

223.07982

CAS

Similarity

N/A

ID: 800754

2-[(furan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$

M. F.

C11H17BO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16771

Database

Data ID

M. W.

208.06188

CAS

Similarity

N/A

ID: 800755

2-[(furan-3-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$

M. F.

C11H17BO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16772

Database

Data ID

M. W.

208.06188

CAS

Similarity

N/A

ID: 800756

4,4,5,5-tetramethyl-2-[(thiophen-3-yl)methyl]-1,3,2-dioxaborolane

$$$$

M. F.

C11H17BO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16773

Database

Data ID

M. W.

224.12748

CAS

Similarity

N/A

ID: 800757

4,4,5,5-tetramethyl-2-[(thiophen-2-yl)methyl]-1,3,2-dioxaborolane

$$$$

M. F.

C11H17BO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16774

Database

Data ID

M. W.

224.12748

CAS

Similarity

N/A

ID: 800758

4,4,5,5-tetramethyl-2-[(5-methylthiophen-2-yl)methyl]-1,3,2-dioxaborolane

$$$$

M. F.

C12H19BO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16775

Database

Data ID

M. W.

238.15406

CAS

Similarity

N/A

ID: 800759

4,4,5,5-tetramethyl-2-[(5-methylfuran-2-yl)methyl]-1,3,2-dioxaborolane

$$$$

M. F.

C12H19BO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16776

Database

Data ID

M. W.

222.08846

CAS

Similarity

N/A

ID: 800760

2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

$$$$

M. F.

C12H18BNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16777

Database

Data ID

M. W.

219.08782

CAS

Similarity

N/A

ID: 800761

2-methyl-6-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

$$$$

M. F.

C13H20BNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16778

Database

Data ID

M. W.

233.1144

CAS

Similarity

N/A

ID: 800762

2-chloro-6-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

$$$$

M. F.

C12H17BClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16779

Database

Data ID

M. W.

253.53288

CAS

Similarity

N/A

ID: 800763

5-chloro-2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

$$$$

M. F.

C12H17BClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16780

Database

Data ID

M. W.

253.53288

CAS

Similarity

N/A

ID: 800764

5-nitro-2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

$$$$

M. F.

C12H17BN2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16781

Database

Data ID

M. W.

264.08538

CAS

Similarity

N/A

ID: 800765

5-methoxy-2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

$$$$

M. F.

C13H20BNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16782

Database

Data ID

M. W.

249.1138

CAS

Similarity

N/A

ID: 800766

2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-5-(trifluoromethyl)pyridine

$$$$

M. F.

C13H17BF3NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16783

Database

Data ID

M. W.

287.0857896

CAS

Similarity

N/A

ID: 800767

6-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine-3-carbonitrile

$$$$

M. F.

C13H17BN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16784

Database

Data ID

M. W.

244.09728

CAS

Similarity

N/A

ID: 800768

6-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine-3-carbaldehyde

$$$$

M. F.

C13H18BNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16785

Database

Data ID

M. W.

247.09792

CAS

Similarity

N/A

ID: 800769

4-chloro-2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

$$$$

M. F.

C12H17BClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16786

Database

Data ID

M. W.

253.53288

CAS

Similarity

N/A

ID: 800770

4-fluoro-2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

$$$$

M. F.

C12H17BFNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16787

Database

Data ID

M. W.

237.0782832

CAS

Similarity

N/A

ID: 800771

2,4-dimethyl-6-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

$$$$

M. F.

C14H22BNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16788

Database

Data ID

M. W.

247.14098

CAS

Similarity

N/A

ID: 800772

4-methoxy-2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine

$$$$

M. F.

C13H20BNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16789

Database

Data ID

M. W.

249.1138

CAS

Similarity

N/A

ID: 800773

methyl 2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine-4-carboxylate

$$$$

M. F.

C14H20BNO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16790

Database

Data ID

M. W.

277.1239

CAS

Similarity

N/A

ID: 800774

2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridine-4-carbaldehyde

$$$$

M. F.

C13H18BNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16791

Database

Data ID

M. W.

247.09792

CAS

Similarity

N/A

ID: 800775

1-{2-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyridin-4-yl}ethan-1-one

$$$$

M. F.

C14H20BNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16792

Database

Data ID

M. W.

261.1245

CAS

Similarity

N/A

ID: 800776

methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate

$$$$

M. F.

C12H17BO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16793

Database

Data ID

M. W.

252.07138

CAS

Similarity

N/A

ID: 800777

methyl 2-methyl-2H-1,2,3-triazole-4-carboxylate

$$$$

M. F.

C5H7N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16795

Database

Data ID

M. W.

141.12798

CAS

105020-39-1

Similarity

N/A

ID: 800778

2-methyl-1,3-oxazole

$$$$

M. F.

C4H5NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16797

Database

Data ID

M. W.

83.0886

CAS

23012-10-4

Similarity

N/A

ID: 800779

5-bromo-2-(chloromethyl)pyrimidine

$$$$

M. F.

C5H4BrClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16798

Database

Data ID

M. W.

207.45566

CAS

944903-00-8

Similarity

N/A

ID: 800780

tert-butyl 4-cyano-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate

$$$$

M. F.

C16H27N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16801

Database

Data ID

M. W.

309.40388

CAS

501446-66-8

Similarity

N/A

ID: 800781

2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-oxazole-4-carboxylic acid

$$$$

M. F.

C14H20N2O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16803

Database

Data ID

M. W.

296.319

CAS

922516-08-3

Similarity

N/A

ID: 800782

2-(ethylamino)propanoic acid

$$$$

M. F.

C5H11NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16805

Database

Data ID

M. W.

117.14634

CAS

64991-30-6

Similarity

N/A

ID: 800783

dimethyl[3-(4-nitrophenoxy)propyl]amine

$$$$

M. F.

C11H16N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16806

Database

Data ID

M. W.

224.25634

CAS

91430-80-7

Similarity

N/A

ID: 800784

methyl 2-methyl-3-oxopropanoate

$$$$

M. F.

C5H8O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16807

Database

Data ID

M. W.

116.11522

CAS

51673-64-4

Similarity

N/A

ID: 800785

2,5-di-tert-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one

$$$$

M. F.

C16H23NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16808

Database

Data ID

M. W.

261.35932

CAS

Similarity

N/A

ID: 800786

6-tert-butyl-1,2-dihydrophthalazin-1-one

$$$$

M. F.

C12H14N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16809

Database

Data ID

M. W.

202.25236

CAS

Similarity

N/A

ID: 800787

6-tert-butyl-2-[3-chloro-2-(hydroxymethyl)phenyl]-1,2-dihydrophthalazin-1-one

$$$$

M. F.

C19H19ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16810

Database

Data ID

M. W.

342.81936

CAS

Similarity

N/A

ID: 800788

8-fluoro-1,2-dihydrophthalazin-1-one

$$$$

M. F.

C8H5FN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16811

Database

Data ID

M. W.

164.1365032

CAS

23928-53-2

Similarity

N/A

ID: 800789

2-[3-chloro-2-(hydroxymethyl)phenyl]-8-fluoro-1,2-dihydrophthalazin-1-one

$$$$

M. F.

C15H10ClFN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16812

Database

Data ID

M. W.

304.7035032

CAS

Similarity

N/A

ID: 800790

2-(2-fluoro-5-methoxybenzoyl)-6-methylpyridine

$$$$

M. F.

C14H12FNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16813

Database

Data ID

M. W.

245.2489832

CAS

Similarity

N/A

ID: 800791

2-[(2-fluoro-5-methoxyphenyl)methanehydrazonoyl]-6-methylpyridine

$$$$

M. F.

C14H14FN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16814

Database

Data ID

M. W.

259.2788632

CAS

Similarity

N/A

ID: 800792

3-(6-methylpyridin-2-yl)-1H-indazol-5-ol

$$$$

M. F.

C13H11N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16815

Database

Data ID

M. W.

225.24594

CAS

Similarity

N/A

ID: 800793

6-methoxy-4-methylpyridine-3-carbaldehyde

$$$$

M. F.

C8H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16816

Database

Data ID

M. W.

151.16256

CAS

123506-66-1

Similarity

N/A

ID: 800794

6-bromo-N,N-dimethylpyridin-3-amine

$$$$

M. F.

C7H9BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16817

Database

Data ID

M. W.

201.06376

CAS

39856-56-9

Similarity

N/A

ID: 800795

5-bromo-2-(pyridin-2-yl)pyridine

$$$$

M. F.

C10H7BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16818

Database

Data ID

M. W.

235.07998

CAS

15862-19-8

Similarity

N/A

ID: 800796

tert-butyl 4-[4-(methoxymethyl)phenyl]piperidine-1-carboxylate

$$$$

M. F.

C18H27NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16820

Database

Data ID

M. W.

305.41188

CAS

NONE

Similarity

N/A

ID: 800797

tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate

$$$$

M. F.

C17H25NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16821

Database

Data ID

M. W.

275.3859

CAS

732275-92-2

Similarity

N/A

ID: 800798

methyl (3S)-3-amino-4,4-dimethylpentanoate hydrochloride

$$$$

M. F.

C8H18ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16827

Database

Data ID

M. W.

195.68702

CAS

Similarity

N/A

ID: 800799

ethyl 4-methyl-1,3-oxazole-2-carboxylate

$$$$

M. F.

C7H9NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16828

Database

Data ID

M. W.

155.15126

CAS

90892-99-2

Similarity

N/A

ID: 800800

2-chloro-6-iodoquinoline

$$$$

M. F.

C9H5ClIN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16833

Database

Data ID

M. W.

289.50017

CAS

124467-20-5

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