AG004OT4

871332-67-1 | 2-CHLORO-5-BORONOBENZAMIDE

AG004OT4

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CAS Number	871332-67-1
Catalog Number	AG004OT4(AGN-PC-0VB288)
Chemical Name	2-CHLORO-5-BORONOBENZAMIDE
IUPAC Name	(3-carbamoyl-4-chlorophenyl)boronic acid
InChI	InChI=1S/C7H7BClNO3/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H2,10,11)
InChI Key	PHYINASSDCHPRG-UHFFFAOYSA-N
MDL Number	MFCD07363796
Molecular Formula	C7H7BClNO3
Molecular Weight	199.3994
SMILES	NC(C1=CC(B(O)O)=CC=C1Cl)=O
Synonyms	871332-67-1, (3-Carbamoyl-4-chlorophenyl)boronic acid, 2-Chloro-5-Boronobenzamide, 3-Carbamoyl-4-chlorophenylboronic acid, [3-(AMINOCARBONYL)-4-CHLOROPHENYL]-BORONIC ACID, ACMC-209qgx, AC1Q4Z55, SCHEMBL1787715, CTK5F7938, DTXSID20661218, PHYINASSDCHPRG-UHFFFAOYSA-N, ANW-38575, FCH832903, AKOS006230535, ZINC169743978, AB30789, RTR-027239, 2-Chloro-5-boronobenzamide, AldrichCPR, BC001606, OR360288, (3-Carbamoyl-4-chloro-phenyl)boronic acid, AX8158589, TR-027239, FT-0699111, ST24034337, X1417, B-4251, (4-CHLORO-3-CARBAMOYLPHENYL)BORONIC ACID, (4-CHLORO-3-AMINOCARBONYLPHENYL)BORONIC ACID, Boronic acid,B-[3-(aminocarbonyl)-4-chlorophenyl]-, I01-11480, C7H7BClNO3, ACN-034284, 4-CHLORO-3-CARBAMOYLBENZENEBORONIC ACID,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.021g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	199.397g/mol
Monoisotopic Mass	199.021g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.6A^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	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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