AG006BLA

957066-11-4 | 6-Chloro-1-methylindole-2-boronic acid

AG006BLA

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CAS Number	957066-11-4
Catalog Number	AG006BLA(AGN-PC-0713E2)
Chemical Name	6-Chloro-1-methylindole-2-boronic acid
IUPAC Name	(6-chloro-1-methylindol-2-yl)boronic acid
InChI	InChI=1S/C9H9BClNO2/c1-12-8-5-7(11)3-2-6(8)4-9(12)10(13)14/h2-5,13-14H,1H3
InChI Key	HAKQDXBWDPGHDD-UHFFFAOYSA-N
MDL Number	MFCD09878352
Molecular Formula	C9H9BClNO2
Molecular Weight	209.4373
SMILES	OB(C(N1C)=CC2=C1C=C(Cl)C=C2)O
Synonyms	6-Chloro-1-methylindole-2-boronic acid, 957066-11-4, 6-Chloro-1-methyl-1H-indole-2-boronic acid, 6-chloro-1-methyl-1H-indol-2-ylboronic acid, (6-Chloro-1-methyl-1H-indol-2-yl)boronic acid, 6-Chloro-1-methyl-1H-indol-2-yl-2-boronic acid, ACMC-209s3q, SCHEMBL1605841, CTK5H8084, DTXSID00657316, HAKQDXBWDPGHDD-UHFFFAOYSA-N, ZX-AT000666, ANW-40692, MFCD09878352, AKOS015851062, ZINC169745296, FCH1327498, OR59404, PS-9432, RTR-029996, N-methyl-6-chloroindole-2-boronic acid, 6-chloro-1-methylindol-2-ylboronic acid, 6-Chloro-1-methyl-indole-2-boronic acid, AK-26954, AN-26086, AX8168112, DB-080329, TR-029996, (6-chloro-1-methyl-indol-2-yl)boronic acid, FT-0690037, ST24029711, V9781, A22952, B-4676, 066C114, C9H9BClNO2, 6-Chloro-1-methylindole-2-boronicacid,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.041g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	209.436g/mol
Monoisotopic Mass	209.041g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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