AG0011BP

1328882-30-9 | Boronic acid, B-(2-cyano-4-methylphenyl)-

AG0011BP

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CAS Number	1328882-30-9
Catalog Number	AG0011BP(AGN-PC-0J0YCZ)
Chemical Name	Boronic acid, B-(2-cyano-4-methylphenyl)-
IUPAC Name	(2-cyano-4-methylphenyl)boronic acid
InChI	InChI=1S/C8H8BNO2/c1-6-2-3-8(9(11)12)7(4-6)5-10/h2-4,11-12H,1H3
InChI Key	JNMAPBUMNAHKOU-UHFFFAOYSA-N
MDL Number	MFCD18394414
Molecular Formula	C8H8BNO2
Molecular Weight	160.9656
SMILES	CC1=CC(C#N)=C(C=C1)B(O)O
Synonyms	(2-Cyano-4-methylphenyl)boronic acid, 1328882-30-9, AK-76966, 2-CYANO-4-METHYLPHENYLBORONIC ACID, SCHEMBL15031886, CTK8C4367, KS-00000PIX, DTXSID60743921, 6021AA, ANW-71676, MFCD18394414, AKOS016007492, ZINC169747156, FCH1150322, DS-16923, AX8223292, ST2407887, TC-160421, 4CH-016344, Boronic acid, B-(2-cyano-4-methylphenyl)-, C8H8BNO2, (2-Cyano-4-methylphenyl)boronicacid,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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