AG0037L6

37098-75-2 | 5-(Chlorosulfonyl)-2-fluorobenzoic acid

AG0037L6

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CAS Number	37098-75-2
Catalog Number	AG0037L6(AGN-PC-0JTQ8F)
Chemical Name	5-(Chlorosulfonyl)-2-fluorobenzoic acid
IUPAC Name	5-chlorosulfonyl-2-fluorobenzoic acid
InChI	InChI=1S/C7H4ClFO4S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key	CISMZCVQNVNWJW-UHFFFAOYSA-N
MDL Number	MFCD03030335
Molecular Formula	C7H4ClFO4S
Molecular Weight	238.6207
SMILES	OC(=O)C1=C(F)C=CC(=C1)S(Cl)(=O)=O
Synonyms	5-(chlorosulfonyl)-2-fluorobenzoic acid, 37098-75-2, 2-Fluoro-5-(chlorosulfonyl)benzoic acid, 5-Chlorosulfonyl-2-fluoro-benzoic acid, 5-chlorosulfonyl-2-fluorobenzoic acid, 5-(Chlorosulphonyl)-2-fluorobenzoic acid, CISMZCVQNVNWJW-UHFFFAOYSA-N, MFCD03030335, 5-(Chlorosulfonyl)-2-fluorobenzoicacid, 5-(Chlorosulfonyl)-2-fluorobenzoic acid, 97%, AC1LCYLV, ACMC-1AFAW, AC1Q72VA, KSC577O0R, SCHEMBL572815, BENZOIC ACID, 5-(CHLOROSULFONYL)-2-FLUORO-, CTK4H7708, KS-00000HDK, DTXSID20346038, CS-B0676, ANW-28561, RW2695, SBB078627, 2-fluoro-5-chlorosulfonylbenzoic acid, 5-chlorosulphonyl-2-fluorobenzoic acid, AKOS000365631, ZINC100013328, AB13005, AM62602, CF-1123, MCULE-2708315301, QC-8942, RP28343, AK-34897, AS-18860, BC667306, SC-50577, AB0004405, Benzoic acid,5-(chlorosulfonyl)-2-fluoro-, DB-003897, TC-070169, 4CH-021410, FT-0084605, FT-0647476, ST24044233, X2963, EN300-09860, K-8223, 5-(chlorosulfonyl)-2-fluorobenzoic acid, AldrichCPR, I01-9051, J-516329, F0001-1064, C7H4ClFO4S, 5- -2-fluorobenzoicacid, 2-fluoro-6-methylbenzoylchloride, CID608984, ACN-027250, (2E)-3-(4-ethoxy-3-methoxyphenyl)acrylic acid,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.95g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	238.613g/mol
Monoisotopic Mass	237.95g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

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