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Home > Fluorides > 127162-96-3
127162-96-3 | Benzenemethanesulfonyl chloride, 3-(trifluoromethyl)-
CAS No: 127162-96-3 Catalog No: AG000WP9 MDL No:MFCD01631926
Product Description
Catalog Number:
AG000WP9
Chemical Name:
Benzenemethanesulfonyl chloride, 3-(trifluoromethyl)-
CAS Number:
127162-96-3
Molecular Formula:
C8H6ClF3O2S
Molecular Weight:
258.6452
MDL Number:
MFCD01631926
IUPAC Name:
[3-(trifluoromethyl)phenyl]methanesulfonyl chloride
InChI:
InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
InChI Key:
WIGCBGFBBRJTLS-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)Cc1cccc(c1)C(F)(F)F
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.973g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.639g/mol
Monoisotopic Mass:
257.973g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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