AG006GXP

91983-26-5 | 4-Cyanomethylphenylboronic acid

AG006GXP

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CAS Number	91983-26-5
Catalog Number	AG006GXP(AGN-PC-0KKVD8)
Chemical Name	4-Cyanomethylphenylboronic acid
IUPAC Name	[4-(cyanomethyl)phenyl]boronic acid
InChI	InChI=1S/C8H8BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5H2
InChI Key	YKVMTTIYBSVPEQ-UHFFFAOYSA-N
MDL Number	MFCD01632200
Molecular Formula	C8H8BNO2
Molecular Weight	160.9656
SMILES	OB(O)C1=CC=C(CC#N)C=C1
Synonyms	91983-26-5, 4-(Cyanomethyl)benzeneboronic acid, (4-(Cyanomethyl)phenyl)boronic acid, [4-(cyanomethyl)phenyl]boronic Acid, 4-Cyanomethylphenylboronic acid, (4-Cyanomethylphenyl)boronic acid, 4-(Cyanomethyl)phenylboronic acid, 4-Boronophenylacetonitrile, Boronic acid, [4-(cyanomethyl)phenyl]-, MFCD01632200, PubChem7789, ACMC-209ree, rarechem ah pb 0157, AC1MCMT4, SCHEMBL363788, 4-(cyanomethyl)benzenebor..., 4-cyanomethylbenzeneboronc acid, 4-cyanomethylphenyl boronic acid, CTK3J3376, 4-(Cyanomethyl)benzeneboronicacid, DTXSID80378390, YKVMTTIYBSVPEQ-UHFFFAOYSA-N, 4-(cyanomethyl)phenyl boronic acid, KS-000002RQ, ZX-AT006025, 4 - (Cyanomethyl)phenylboronic acid, ANW-39780, BBL100317, CC-961, FCH918711, SBB065905, STL553941, [4-(cyanomethyl)phenyl]-boronic acid, 4-(cyanomethyl)benzeneboronicacid,98%, AKOS006229617, ZINC169747051, C2315G1, MCULE-4122407806, OR10422, PB17220, PS-9498, RL05807, RTR-028940, TRA0063262, VB10003, 4-(cyanomethyl)benzeneboronic acid 97%, AK-45433, BP-21200, CC-16763, N874, SC-75681, 4-(CYANOMETHYL)BENZENE BORONIC ACID, AB1011742, AX8006263, DB-028599, TR-028940, BB 0259707, FT-0642214, ST24034559, 4-(Cyanomethyl)benzeneboronic acid, AldrichCPR, B-4470, 983C265, C-04039, I04-0779, J-515230, 4-(Cyanomethyl)phenylboronic Acid (contains varying amounts of Anhydride), null, C8H8BNO2, CID2773342, C3231,

Complexity	179
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	2
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+H312+H332-H315-H319
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
UN Code	\N

Certificate of Analysis

Lot Number