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


Chemical Name: Benzoic acid, 3-(chlorosulfonyl)-4-fluoro-
CAS Number: 2267-40-5
Product Number: AG0037IE(AGN-PC-0L2DK6)
Synonyms:
MDL No:
Molecular Formula: C7H4ClFO4S
Molecular Weight: 238.6207

Identification/Properties


Properties
MP:
147-148°C
BP:
388.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
238.613g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
237.95g/mol
Monoisotopic Mass:
237.95g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
323
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#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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