AG00GREJ

913835-75-3 | 5-CARBOXY-2-CHLOROBENZENEBORONIC ACID 98

AG00GREJ

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CAS Number	913835-75-3
Catalog Number	AG00GREJ(AGN-PC-01LR0R)
Chemical Name	5-CARBOXY-2-CHLOROBENZENEBORONIC ACID 98
IUPAC Name	3-borono-4-chlorobenzoic acid
InChI	InChI=1S/C7H6BClO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key	ZITWKFSVFMUWIE-UHFFFAOYSA-N
MDL Number	MFCD08689491
Molecular Formula	C7H6BClO4
Molecular Weight	200.3841
SMILES	B(c1cc(ccc1Cl)C(=O)O)(O)O
Synonyms	913835-75-3, 2-Chloro-5-carboxyphenylboronic acid, 5-CARBOXY-2-CHLOROPHENYLBORONIC ACID, 3-borono-4-chlorobenzoic acid, 5-Carboxy-2-Chlorobenzeneboronic Acid, 4-chloro-3-(dihydroxyboranyl)benzoic acid, AK-39913, 5-carboxy-2-chlorobenzeneboronic acid 98, ACMC-209ra0, KSC494M0B, SCHEMBL394086, 5-carboxy-2-chlorophenylboroni, 3-borono-4-chloro-benzoic acid, CTK3J4600, DTXSID70590367, ZITWKFSVFMUWIE-UHFFFAOYSA-N, BM620, ZXBA000473, 2-Chloro-5-carboxyphenylboronicacid, KS-00000F3G, ZX-AT010097, ANW-39622, CC-963, MFCD08689491, OR3303, SBB065910, 5-carboxy-2-chloro-phenylboronic acid, AKOS005259735, ZINC169744847, CS-W003544, DS-1041, FCH1327141, LS10973, QC-4545, RL05749, RTR-028668, 4-Chloro-3-(dihydroxyboryl)benzoic acid, AN-26415, BR-39913, SY026544, 5-carboxy-2-chlorobenzeneboronic acid 98%, AB0020889, AX8103169, DB-029106, ST2409854, TR-028668, 4-chloranyl-3-(dihydroxyboranyl)benzoic acid, 4CH-001307, AM20050349, FT-0652138, V1914, MFCD08689491 (95%), B-5330, ref dupl: 5-carboxy-2-chlorophenylboronic acid, 2-Chloro-5-carboxyphenylboronic acid, AldrichCPR, 835C753, A843835, I04-0810, J-517226, 5-Carboxy-2-chlorophenylboronic Acid (contains varying amounts of Anhydride), C7H6BClO4, ACN-032679, C3246,

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-H302-H318
Packing Group
Precautionary statements	P280-P305+P351+P338-P261-P280a-P304+P340-P405-P501a
UN Code

Certificate of Analysis

Lot Number