AG000SWV

126535-26-0 | Benzoic acid, 2-(chlorosulfonyl)-3-methyl-, methyl ester

AG000SWV

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CAS Number	126535-26-0
Catalog Number	AG000SWV(AGN-PC-0ND2R1)
Chemical Name	Benzoic acid, 2-(chlorosulfonyl)-3-methyl-, methyl ester
IUPAC Name	methyl 2-chlorosulfonyl-3-methylbenzoate
InChI	InChI=1S/C9H9ClO4S/c1-6-4-3-5-7(9(11)14-2)8(6)15(10,12)13/h3-5H,1-2H3
InChI Key	YZNFOAXNTIGWQG-UHFFFAOYSA-N
MDL Number	MFCD09030584
Molecular Formula	C9H9ClO4S
Molecular Weight	248.6834
SMILES	O=C(OC)C1=CC=CC(C)=C1S(=O)(Cl)=O
Synonyms	126535-26-0, Methyl 2-(chlorosulfonyl)-3-methylbenzoate, 2-methyl-6-methoxycarbonyl benzenesulfonyl chloride, Benzoic acid, 2-(chlorosulfonyl)-3-methyl-, methyl ester, AK141663, 2-(chlorosulfonyl)-3-methylbenzoic acid methyl ester, 2-chlorosulfonyl-3-methyl-benzoic acid methyl ester, SCHEMBL744628, 2-(chlorosulfonyl)-3-methyl-Benzoic acid methyl ester, CTK8C6750, YZNFOAXNTIGWQG-UHFFFAOYSA-N, EBD47738, MFCD09030584, AKOS006221165, ZINC100035129, DS-7297, DA-19413, AX8281817, FT-0713317, J-005394, I14-32141, BENZOICACID, 2-(CHLOROSULFONYL)-3-METHYL-, METHYL ESTER, Methyl 2-chlorosulfonyl-3-methylbenzoate, CID10933885, Methyl 2-chlorosulfonyl-3-methyl-benzoate,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.991g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	248.677g/mol
Monoisotopic Mass	247.991g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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