Benzoic acid, 5-(chlorosulfonyl)-2-methyl-


Chemical Name: Benzoic acid, 5-(chlorosulfonyl)-2-methyl-
CAS Number: 89001-57-0
Product Number: AG0088Z7(AGN-PC-0JOQZM)
Synonyms:
MDL No:
Molecular Formula: C8H7ClO4S
Molecular Weight: 234.6568

Identification/Properties


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


GHS Pictogram:
Signal Word:
Danger
UN#:
3265
Hazard Statements:
H314
Precautionary Statements:
P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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