AG0036CV

867333-43-5 | (5-Cyano-2-methylphenyl)boronic acid

AG0036CV

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CAS Number	867333-43-5
Catalog Number	AG0036CV(AGN-PC-09PZ9F)
Chemical Name	(5-Cyano-2-methylphenyl)boronic acid
IUPAC Name	(5-cyano-2-methylphenyl)boronic acid
InChI	InChI=1S/C8H8BNO2/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,11-12H,1H3
InChI Key	IPDZHWUWADJUMR-UHFFFAOYSA-N
MDL Number	MFCD17015778
Molecular Formula	C8H8BNO2
Molecular Weight	160.9656
SMILES	C(#N)C=1C=CC(=C(C1)B(O)O)C
Synonyms	867333-43-5, (5-Cyano-2-methylphenyl)boronic acid, 5-CYANO-2-METHYLPHENYLBORONIC ACID, ACMC-209qb9, SCHEMBL1822394, CTK5F7157, DTXSID00681893, 5-Cyano-2-methylphenylboronicAcid, IPDZHWUWADJUMR-UHFFFAOYSA-N, 5-cyano-2-methylphenyl boronic acid, ANW-38371, MFCD17015778, AKOS006335101, ZINC169748068, AB71676, CS-W018968, KS-00000Q32, AK-85589, BC001595, DS-18091, SC-01893, SY028652, 2-METHYL-5-CYANOPHENYLBORONIC ACID, Boronic acid, (5-cyano-2-methylphenyl)-, TR-038057, ST24034848, X2533, MFCD17015778 (95%), B-4656, I04-1855, (5-CYANO-2-METHYLPHENYL)BORONIC ACID PINACOL ESTER, C8H8BNO2, (5-Cyano-2-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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number