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Home > Fluorides > 151258-36-5
151258-36-5 | Benzenesulfonyl chloride, 4-methyl-3-(trifluoromethyl)-
CAS No: 151258-36-5 Catalog No: AG001N7D MDL No:MFCD15209709
Product Description
Catalog Number:
AG001N7D
Chemical Name:
Benzenesulfonyl chloride, 4-methyl-3-(trifluoromethyl)-
CAS Number:
151258-36-5
Molecular Formula:
C8H6ClF3O2S
Molecular Weight:
258.6452
MDL Number:
MFCD15209709
IUPAC Name:
4-methyl-3-(trifluoromethyl)benzenesulfonyl chloride
InChI:
InChI=1S/C8H6ClF3O2S/c1-5-2-3-6(15(9,13)14)4-7(5)8(10,11)12/h2-4H,1H3
InChI Key:
QDMYYKYFUZKZKK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C(F)(F)F)S(=O)(=O)Cl
Properties
Complexity:
320
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:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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