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192323-12-9 | Benzoic acid, 3-(chlorosulfonyl)-4-methoxy-, methyl ester
CAS No: 192323-12-9 Catalog No: AG002FTY MDL No:MFCD03407355
Product Description
Catalog Number:
AG002FTY
Chemical Name:
Benzoic acid, 3-(chlorosulfonyl)-4-methoxy-, methyl ester
CAS Number:
192323-12-9
Molecular Formula:
C9H9ClO5S
Molecular Weight:
264.6828
MDL Number:
MFCD03407355
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
SMILES:
COC(=O)c1ccc(c(c1)S(=O)(=O)Cl)OC
Properties
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
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