AG003I3R

874288-28-5 | 3-(4-Bromophenylcarbamoyl)phenylboronic acid

AG003I3R

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CAS Number	874288-28-5
Catalog Number	AG003I3R(AGN-PC-0712PN)
Chemical Name	3-(4-Bromophenylcarbamoyl)phenylboronic acid
IUPAC Name	[3-[(4-bromophenyl)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C13H11BBrNO3/c15-11-4-6-12(7-5-11)16-13(17)9-2-1-3-10(8-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key	JTIUHKZUVGVPGO-UHFFFAOYSA-N
MDL Number	MFCD09475817
Molecular Formula	C13H11BBrNO3
Molecular Weight	319.9463
SMILES	O=C(C1=CC(B(O)O)=CC=C1)NC2=CC=C(Br)C=C2
Synonyms	874288-28-5, (3-((4-Bromophenyl)carbamoyl)phenyl)boronic acid, 3-(4-Bromophenylcarbamoyl)phenylboronic acid, 3-Borono-N-(4-bromophenyl)benzamide, {3-[(4-Bromophenyl)carbamoyl]phenyl}boronic acid, ACMC-209qlv, CTK3E7771, DTXSID40656883, ZX-AT012231, ANW-38753, MFCD09475817, AKOS015835617, ZINC169808992, OR11448, RTR-027411, AX8083219, TR-027411, V8452, 3-[(4-bromophenyl)carbamoyl]phenylboronic acid, A-4753, 3-[(4-Bromophenyl)carbamoyl]benzeneboronic acid, I04-1812, Boronicacid,b-[3-[[(4-bromophenyl)amino]carbonyl]phenyl]-, Boronicacid, B-[3-[[(4-bromophenyl)amino]carbonyl]phenyl]-, C13H11BBrNO3, 3-[ carbamoyl]benzeneboronicacid, 3-[(4-Bromophenyl)carbamoyl]benzeneboronicacid,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	319.002g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	319.949g/mol
Monoisotopic Mass	319.002g/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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