AG00BYKW

313546-18-8 | 2-Methyl-4-cyanophenylboronic acid

AG00BYKW

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CAS Number	313546-18-8
Catalog Number	AG00BYKW(AGN-PC-00UR1J)
Chemical Name	2-Methyl-4-cyanophenylboronic acid
IUPAC Name	(4-cyano-2-methylphenyl)boronic acid
InChI	InChI=1S/C8H8BNO2/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,11-12H,1H3
InChI Key	RGCVYEOTYJCNOS-UHFFFAOYSA-N
MDL Number	MFCD09750473
Molecular Formula	C8H8BNO2
Molecular Weight	160.9656
SMILES	CC1=C(C=CC(=C1)C#N)B(O)O
Synonyms	313546-18-8, 2-Methyl-4-cyanophenylboronic acid, (4-Cyano-2-methylphenyl)boronic acid, 4-CYANO-2-METHYLPHENYLBORONIC ACID, (4-Cyano-2-methyl-phenyl)boronic acid, Boronic acid, (4-cyano-2-methylphenyl)-, ACMC-209hm1, SCHEMBL1277292, CTK4G6935, DTXSID10584927, RGCVYEOTYJCNOS-UHFFFAOYSA-N, ANW-27095, BBL102133, MFCD09750473, STL555932, AKOS015842345, ZINC169747920, AB51409, FCH1119766, RTR-013340, ACM313546188, AK-61756, AS-55569, BC001819, OR360237, SC-91282, SY029512, AX8218069, Boronic acid,B-(4-cyano-2-methylphenyl)-, DB-013142, 2-Methyl-4-cyanophenylboronic acid, >=95%, FT-0713861, ST24034673, X0701, MFCD09750473 (95%), A-9140, I04-2410, C8H8BNO2, (4-Cyano-2-methylphenyl)boronicacid, 2-METHYL-4-CYANOPHENYLBORONICACID,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.065g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.967g/mol
Monoisotopic Mass	161.065g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	64.2A^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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