AG004FYT

874290-67-2 | 2-Borono-4-chlorobenzoic acid

AG004FYT

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CAS Number	874290-67-2
Catalog Number	AG004FYT(AGN-PC-0VDJNL)
Chemical Name	2-Borono-4-chlorobenzoic acid
IUPAC Name	2-borono-4-chlorobenzoic acid
InChI	InChI=1S/C7H6BClO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key	OTIPTCHUAWBCTA-UHFFFAOYSA-N
MDL Number	MFCD08235091
Molecular Formula	C7H6BClO4
Molecular Weight	200.3841
SMILES	O=C(O)C1=CC=C(Cl)C=C1B(O)O
Synonyms	2-borono-4-chlorobenzoic acid, 874290-67-2, 2-Carboxy-5-chlorophenylboronic acid, 4-chloro-2-(dihydroxyboranyl)benzoic acid, ACMC-209qn3, SCHEMBL9939276, CTK5F8438, DTXSID40657456, OTIPTCHUAWBCTA-UHFFFAOYSA-N, ZX-AT009029, ANW-38797, MFCD08235091, OR9568, 2-Carboxy-5-chlorobenzeneboronic acid, AKOS015836285, ZINC169745500, FCH1326874, RTR-027457, Benzoic acid,2-borono-4-chloro-(9ci), Benzoic acid,2-borono-4-chloro- (9CI), 2-Borono-4-chlorobenzoic acid, AldrichCPR, AX8231240, TR-027457, 4-chloranyl-2-(dihydroxyboranyl)benzoic acid, ST24022017, V8480, B-4563, A842211, I04-1878, C7H6BClO4, 2-BORONO-4-CHLOROBENZOICACID,

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

Certificate of Analysis

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