AG004SI9

850568-07-9 | 2-Borono-5-chlorobenzoic acid

AG004SI9

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CAS Number	850568-07-9
Catalog Number	AG004SI9(AGN-PC-0UX3KF)
Chemical Name	2-Borono-5-chlorobenzoic acid
IUPAC Name	2-borono-5-chlorobenzoic acid
InChI	InChI=1S/C7H6BClO4/c9-4-1-2-6(8(12)13)5(3-4)7(10)11/h1-3,12-13H,(H,10,11)
InChI Key	RENDEFHQQIYNJL-UHFFFAOYSA-N
MDL Number	MFCD06659869
Molecular Formula	C7H6BClO4
Molecular Weight	200.3841
SMILES	B(c1ccc(cc1C(=O)O)Cl)(O)O
Synonyms	2-borono-5-chlorobenzoic acid, 850568-07-9, 2-Carboxy-4-chlorophenylboronic acid, 5-chloro-2-(dihydroxyboranyl)benzoic acid, MFCD06659869, ACMC-209q17, SCHEMBL9937971, CTK5F3938, DTXSID70629641, ZX-AT009979, ANW-38009, OR1202, 2-Carboxy-4-chlorobenzeneboronic acid, AKOS004113829, ZINC169745058, AB26513, FCH1326828, RTR-026472, (2-Carboxy-4-chloro)benzeneboronic acid, AS-55277, Benzoic acid,2-borono-5-chloro- (9CI), AX8044163, TR-026472, 5-chloranyl-2-(dihydroxyboranyl)benzoic acid, FT-0699056, X2401, B-4160, 2-Carboxy-4-chlorobenzeneboronic acid, AldrichCPR, A841105, I04-1879, C7H6BClO4, 2-Borono-5-chlorobenzoicacid, ACN-034302,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.005g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	200.381g/mol
Monoisotopic Mass	200.005g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.8A^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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