AG002FTY

192323-12-9 | Benzoic acid, 3-(chlorosulfonyl)-4-methoxy-, methyl ester

AG002FTY

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CAS Number	192323-12-9
Catalog Number	AG002FTY(AGN-PC-0KL6ZC)
Chemical Name	Benzoic acid, 3-(chlorosulfonyl)-4-methoxy-, methyl ester
IUPAC Name	methyl 3-chlorosulfonyl-4-methoxybenzoate
InChI	InChI=1S/C9H9ClO5S/c1-14-7-4-3-6(9(11)15-2)5-8(7)16(10,12)13/h3-5H,1-2H3
InChI Key	FKAIQWMEWVOGDP-UHFFFAOYSA-N
MDL Number	MFCD03407355
Molecular Formula	C9H9ClO5S
Molecular Weight	264.6828
SMILES	O=C(OC)C1=CC=C(OC)C(S(=O)(Cl)=O)=C1
Synonyms	methyl 3-(chlorosulfonyl)-4-methoxybenzoate, 192323-12-9, methyl 3-chlorosulfonyl-4-methoxybenzoate, methyl-3-(CHLOROSULFONYL)-4-METHOXYBENZOATE, AC1MDRHW, AC1Q42WC, SCHEMBL1020735, CTK4E0975, DTXSID50383259, FKAIQWMEWVOGDP-UHFFFAOYSA-N, 9989AA, BBL101809, MFCD03407355, SBB053788, STL555606, ZINC95749469, AKOS002669477, methyl 3-(chlorosulfonyl)-4methoxybenzoate, AB0124242, RT-013788, FT-0628488, EN300-54849, 2-(Chlorosulphonyl)-4-(methoxycarbonyl)anisole, L-5352, methyl 3-(chlorosulfonyl)-4-(methyloxy)benzoate, 2-Methoxy-5-(methoxycarbonyl)benzenesulphonyl chloride, I14-57672, F2126-0075, Benzoic acid, 3-(chlorosulfonyl)-4-methoxy-, methyl ester, Benzoic acid,3-(chlorosulfonyl)-4-methoxy-, methyl ester, C9H9ClO5S, CID2794613, Methyl 3-chlorosulfonyl-4-methoxy-benzoate, Methyl3-(chlorosulfonyl)-4-methoxybenzoate,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.986g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	264.676g/mol
Monoisotopic Mass	263.986g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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