AG00GSKL

913943-05-2 | 3-AMINO-5-CYANOPHENYLBORONIC ACID

AG00GSKL

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CAS Number	913943-05-2
Catalog Number	AG00GSKL(AGN-PC-0WA81Q)
Chemical Name	3-AMINO-5-CYANOPHENYLBORONIC ACID
IUPAC Name	(3-amino-5-cyanophenyl)boronic acid
InChI	InChI=1S/C7H7BN2O2/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3,11-12H,10H2
InChI Key	QMVJJNXUBHSBIS-UHFFFAOYSA-N
MDL Number	MFCD03095195
Molecular Formula	C7H7BN2O2
Molecular Weight	161.9537
SMILES	N#CC1=CC(N)=CC(B(O)O)=C1
Synonyms	913943-05-2, 3-Amino-5-cyanophenylboronic acid, (3-amino-5-cyanophenyl)boronic acid, PubChem1740, ACMC-209rb9, SCHEMBL3326314, CTK5G9493, DTXSID90657163, ANW-39667, FCH832911, MFCD03095195, AKOS006227703, ZINC169745314, (3-azanyl-5-cyano-phenyl)boronic acid, AB13562, RTR-028720, OR360638, AX8230217, TR-028720, ST24020351, V9058, A-3699, A843847, I04-2916, C7H7BN2O2, (3-Amino-5-cyanophenyl)boronicacid, 3-AMINO-5-CYANOPHENYLBORONICACID,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.06g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	161.955g/mol
Monoisotopic Mass	162.06g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	90.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number