AG003IA0

1072946-03-2 | 3-(p-Tolylcarbamoyl)phenylboronic acid

AG003IA0

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CAS Number	1072946-03-2
Catalog Number	AG003IA0(AGN-PC-0WA7NN)
Chemical Name	3-(p-Tolylcarbamoyl)phenylboronic acid
IUPAC Name	[3-[(4-methylphenyl)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C14H14BNO3/c1-10-5-7-13(8-6-10)16-14(17)11-3-2-4-12(9-11)15(18)19/h2-9,18-19H,1H3,(H,16,17)
InChI Key	CCZJEJMKNHPTNG-UHFFFAOYSA-N
MDL Number	MFCD10699620
Molecular Formula	C14H14BNO3
Molecular Weight	255.0769
SMILES	C(=O)(Nc1ccc(cc1)C)c1cc(B(O)O)ccc1
Synonyms	1072946-03-2, (3-(p-Tolylcarbamoyl)phenyl)boronic acid, 3-(p-Tolylcarbamoyl)phenylboronic acid, ACMC-2098r7, CTK8A9143, DTXSID80674440, ANW-15617, AKOS015840461, ZINC169903885, AM86273, RTR-001549, OR361659, AX8159348, TR-001549, Z7027, A-4538, {3-[(4-Methylphenyl)carbamoyl]phenyl}boronic acid, I04-2301, C14H14BNO3, 3-(p-Tolylcarbamoyl)phenylboronicacid,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.107g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	255.08g/mol
Monoisotopic Mass	255.107g/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	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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