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39234-86-1 | 3,5-Bis(trifluoromethyl)benzene-1-sulfonyl chloride
CAS No: 39234-86-1 Catalog No: AG003IJX MDL No:MFCD00014725
Product Description
Catalog Number:
AG003IJX
Chemical Name:
3,5-Bis(trifluoromethyl)benzene-1-sulfonyl chloride
CAS Number:
39234-86-1
Molecular Formula:
C8H3ClF6O2S
Molecular Weight:
312.6166
MDL Number:
MFCD00014725
IUPAC Name:
3,5-bis(trifluoromethyl)benzenesulfonyl chloride
InChI:
InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
InChI Key:
BTRCVKADYDVSLI-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(c1)S(=O)(=O)Cl)C(F)(F)F)(F)F
EC Number:
254-371-0
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.945g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.61g/mol
Monoisotopic Mass:
311.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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