AG002PXN

2494-79-3 | Benzoic acid, 4-chloro-3-(chlorosulfonyl)-

AG002PXN

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CAS Number	2494-79-3
Catalog Number	AG002PXN(AGN-PC-0JLPH6)
Chemical Name	Benzoic acid, 4-chloro-3-(chlorosulfonyl)-
EC Number	219-667-6
IUPAC Name	4-chloro-3-chlorosulfonylbenzoic acid
InChI	InChI=1S/C7H4Cl2O4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)
InChI Key	LYBQQYNSZYSUMT-UHFFFAOYSA-N
MDL Number	MFCD00625723
Molecular Formula	C7H4Cl2O4S
Molecular Weight	255.0753
SMILES	O=C(O)c1ccc(c(c1)S(=O)(=O)Cl)Cl
Synonyms	2494-79-3, 4-chloro-3-chlorosulfonylbenzoic acid, 4-chloro-3-(chlorosulfonyl)benzoic acid, 4-chloro-3-chlorosulfonyl-benzoic acid, 4-Chloro-3-(chlorosulphonyl)benzoic acid, Benzoic acid, 4-chloro-3-(chlorosulfonyl)-, EINECS 219-667-6, AC1Q6YLH, 4-CHLORO-3-CHLOROSULFONYLBENZOICACID, AC1L2P5A, KSC495G1J, SCHEMBL396004, AC1Q738K, BEN288, CTK3J5314, DTXSID30179657, LYBQQYNSZYSUMT-UHFFFAOYSA-N, ACN-P000616, KS-00000ZW6, ANW-58816, MFCD00625723, SBB042843, STL219911, ZINC72399585, 3-chlorosulfonyl-4-chlorobenzoic acid, 4-chloro-5-chlorosulfonylbenzoic acid, AKOS000115106, 4-Chloro-3-(chlorosulfonyl)benzoicAcid, 4-chloro-5-chlorosulfonyl benzoic acid, AB06583, AN-9453, MCULE-9327870272, RP06222, TRA0084362, VZ28750, 3-(Chlorosulfonyl)-4-chlorobenzoic Acid, 4-Chloro-3-(chlorosulfonyl) benzoic acid, AS-11446, 3-Carboxy-6-chlorobenzenesulfonyl Chloride, 5-carboxy-2-chlorobenzenesulfonyl chloride, AB0009972, Benzoic acid,4-chloro-3-(chlorosulfonyl)-, DB-037952, RT-002456, FT-0600630, ST24043574, ST45243660, EN300-01716, A20622, K-6612, 4-Chloro-3-chlorosulfonylbenzoic acid, AldrichCPR, 4-Chloro-3-chlorosulfonyl-benzoic acid, AldrichCPR, I01-8945, W-107272, 6-methyl tetraline, C7H4Cl2O4S, cc-330, C7-H4-Cl2-O4-S, CID75613, AR-1G1631, 4-chloro-3-chlorosulfonylbenzoci acid, 4-Chloro-3-chlorosulfonyl-5-nitrobenzoic acid, 1680-51-9, 25461-00-1,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.921g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.065g/mol
Monoisotopic Mass	253.921g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

Lot Number