Benzoic acid, 3-(chlorosulfonyl)-4-methyl-


Chemical Name: Benzoic acid, 3-(chlorosulfonyl)-4-methyl-
CAS Number: 2548-29-0
Product Number: AG00BFK5(AGN-PC-0JOGCE)
Synonyms:
MDL No:
Molecular Formula: C8H7ClO4S
Molecular Weight: 234.6568

Identification/Properties


Properties
MP:
173℃(Solv: chloroform (67-66-3))
BP:
420°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
234.65g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
233.975g/mol
Monoisotopic Mass:
233.975g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
319
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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