AG00C0CK

330793-46-9 | 4-(Phenethylcarbamoyl)phenylboronic acid

AG00C0CK

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CAS Number	330793-46-9
Catalog Number	AG00C0CK(AGN-PC-03OEBH)
Chemical Name	4-(Phenethylcarbamoyl)phenylboronic acid
IUPAC Name	[4-(2-phenylethylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C15H16BNO3/c18-15(13-6-8-14(9-7-13)16(19)20)17-11-10-12-4-2-1-3-5-12/h1-9,19-20H,10-11H2,(H,17,18)
InChI Key	VTXXKSNJPIRHMK-UHFFFAOYSA-N
MDL Number	MFCD09027209
Molecular Formula	C15H16BNO3
Molecular Weight	269.1034
SMILES	OB(O)C1=CC=C(C(NCCC2=CC=CC=C2)=O)C=C1
Synonyms	330793-46-9, 4-(Phenethylcarbamoyl)phenylboronic acid, (4-(Phenethylcarbamoyl)phenyl)boronic acid, ACMC-209hyd, SCHEMBL5784104, CTK4G9893, DTXSID50625085, VTXXKSNJPIRHMK-UHFFFAOYSA-N, ANW-27539, MFCD09027209, AKOS015839517, ZINC169745652, RTR-013877, 4-(Phenethyl carbamoyl)phenylboronic acid, TR-013877, X0716, 4-[(phenethylamino)carbonyl]phenylboronic acid, 4-[(2-phenylethyl)carbamoyl]phenylboronic acid, A-9129, 4-[(2-Phenylethyl)carbamoyl]benzeneboronic acid, {4-[(2-Phenylethyl)carbamoyl]phenyl}boronic acid, I04-6390, 4- phenylboronicacid, C15H16BNO3, (4-(Phenethylcarbamoyl)phenyl)boronicacid,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.122g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	269.107g/mol
Monoisotopic Mass	269.122g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	69.6A^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	P264-P271-P302+P352-P305+P351+P338-P362-P403+P233-P501
UN Code

Certificate of Analysis

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