AG003IZ7

874288-30-9 | 3-Borono-N-(2-bromophenyl)benzamide

AG003IZ7

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CAS Number	874288-30-9
Catalog Number	AG003IZ7(AGN-PC-0VDJJS)
Chemical Name	3-Borono-N-(2-bromophenyl)benzamide
IUPAC Name	[3-[(2-bromophenyl)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C13H11BBrNO3/c15-11-6-1-2-7-12(11)16-13(17)9-4-3-5-10(8-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key	NNXAOPXQCCLTAC-UHFFFAOYSA-N
MDL Number	MFCD09027206
Molecular Formula	C13H11BBrNO3
Molecular Weight	319.9463
SMILES	c1cc(cc(c1)B(O)O)C(=O)Nc1c(cccc1)Br
Synonyms	874288-30-9, 3-Borono-N-(2-bromophenyl)benzamide, (3-((2-Bromophenyl)carbamoyl)phenyl)boronic acid, 3-(2-Bromophenylcarbamoyl)phenylboronic acid, 3-[(2-Bromophenyl)carbamoyl]benzeneboronic acid, Boronic acid,B-[3-[[(2-bromophenyl)amino]carbonyl]phenyl]-, {3-[(2-Bromophenyl)carbamoyl]phenyl}boronic acid, ACMC-209qlw, CTK5F8400, DTXSID80657374, ZX-AT011969, ANW-38754, MFCD09027206, OR7418, AKOS015833554, ZINC169745123, RTR-027412, BC001911, TR-027412, ST24034239, Z0938, 3-[(2-bromophenyl)carbamoyl]phenylboronic acid, A-3882, I01-10642, 3-[[(2-BROMOPHENYL)AMINO]CARBONYL]PHENYLBORONIC ACID, C13H11BBrNO3, ACN-042934, 3-(2-Bromophenylcarbamoyl)benzeneboronic acid,

Complexity	316
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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