Benzenemethanesulfonyl chloride, 3-(trifluoromethyl)-


Chemical Name: Benzenemethanesulfonyl chloride, 3-(trifluoromethyl)-
CAS Number: 127162-96-3
Product Number: AG000WP9(AGN-PC-0PIHDI)
Synonyms:
MDL No:
Molecular Formula: C8H6ClF3O2S
Molecular Weight: 258.6452

Identification/Properties


Computed Properties
Molecular Weight:
258.639g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
257.973g/mol
Monoisotopic Mass:
257.973g/mol
Topological Polar Surface Area:
42.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
307
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:
H302-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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