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


Chemical Name: Benzoic acid, 4-(chlorosulfonyl)-, methyl ester
CAS Number: 69812-51-7
Product Number: AG003573(AGN-PC-0LGG0U)
Synonyms:
MDL No: MFCD00627554
Molecular Formula: C8H7ClO4S
Molecular Weight: 234.6568

Identification/Properties


Properties
MP:
72-73℃
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
234.65g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
233.975g/mol
Monoisotopic Mass:
233.975g/mol
Topological Polar Surface Area:
68.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
298
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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