AG007H9O

313546-19-9 | 3-Cyano-2-methylphenylboronic acid

AG007H9O

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CAS Number	313546-19-9
Catalog Number	AG007H9O(AGN-PC-03RQU2)
Chemical Name	3-Cyano-2-methylphenylboronic acid
IUPAC Name	(3-cyano-2-methylphenyl)boronic acid
InChI	InChI=1S/C8H8BNO2/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4,11-12H,1H3
InChI Key	FBHYTUYMTRDCOI-UHFFFAOYSA-N
MDL Number	MFCD18394417
Molecular Formula	C8H8BNO2
Molecular Weight	160.9656
SMILES	OB(C1=CC=CC(C#N)=C1C)O
Synonyms	3-Cyano-2-methylphenylboronic acid, 313546-19-9, (3-Cyano-2-methylphenyl)boronic acid, ACMC-209hm2, SCHEMBL3326323, CTK8B1438, KS-00000TBU, DTXSID80626661, FBHYTUYMTRDCOI-UHFFFAOYSA-N, ANW-27096, MFCD18394417, 3-cyano-2-methyl-benzeneboronic acid, AKOS025293576, ZINC169978278, DS-9886, FCH1156526, AK197605, OR361032, Boronic acid, (3-cyano-2-methylphenyl)-, TC-115841, CS-0063899, V5091, B-8366, C8H8BNO2,

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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