AG0038RE

397843-71-9 | (3-(Phenylcarbamoyl)phenyl)boronic acid

AG0038RE

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CAS Number	397843-71-9
Catalog Number	AG0038RE(AGN-PC-0NCBCX)
Chemical Name	(3-(Phenylcarbamoyl)phenyl)boronic acid
IUPAC Name	[3-(phenylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C13H12BNO3/c16-13(15-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(17)18/h1-9,17-18H,(H,15,16)
InChI Key	ZFEJFNWZHUMGRH-UHFFFAOYSA-N
MDL Number	MFCD04115711
Molecular Formula	C13H12BNO3
Molecular Weight	241.0503
SMILES	O=C(NC1=CC=CC=C1)C2=CC=CC(B(O)O)=C2
Synonyms	397843-71-9, (3-(Phenylcarbamoyl)phenyl)boronic acid, (3-PHENYLAMINOCARBONYLPHENYL)BORONIC ACID, 3-(phenylcarbamoyl)phenylboronic acid, [3-(phenylcarbamoyl)phenyl]boronic Acid, 3-Phenylaminocarbonylphenylboronic acid, (3-PHENYLAMINOCARBONYL)BENZENEBORONIC ACID, Boronic acid, [3-[(phenylamino)carbonyl]phenyl]-, ACMC-209j7p, SCHEMBL1933481, CTK4I1877, DTXSID40447319, ZFEJFNWZHUMGRH-UHFFFAOYSA-N, ANW-29171, MFCD04115711, AKOS015840713, ZINC169745438, AB20450, AM86933, PS-9423, RTR-015885, AN-28490, BC001943, BP-11437, TR-015885, FT-0690170, ST24034283, X1356, (3-PHENYLAMINOCARBONYLPHENYL)BORONICACID, A22904, B-3666, 316P920, Boronic acid,B-[3-[(phenylamino)carbonyl]phenyl]-, (3-phenylaminocarbonylphenyl)boronic acid, AldrichCPR, BORONICACID, C13H12BNO3, N-BENZYL 3-BORONOBENZAMIDE, 3-(benzylcarbamoyl)phenylboronic acid, 3-(Benzylcarbamoyl)benzeneboronic acid, 3-(Phenylcarbamoyl)benzeneboronic acid, (3-(Phenylcarbamoyl)phenyl)boronicacid, ACN-042828, CID10890044, 3-PHENYLCARBAMOYLBENZENEBORONIC ACID, 3-(CYCLOHEXYLAMINOCARBONYL)PHENYLBORONIC ACID, 3-[(Benzylamino)carbonyl]phenylboronic acid, 3-(N-Benzylaminocarbonyl)benzeneboronic acid, 850567-25-8, 32316-92-0,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.091g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	241.053g/mol
Monoisotopic Mass	241.091g/mol
Rotatable Bond Count	3
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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