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Home > Fluorides > 114071-28-2
114071-28-2 | Benzenethiol, 2,4,6-tris(trifluoromethyl)-
CAS No: 114071-28-2 Catalog No: AG000AGM MDL No:
Product Description
Catalog Number:
AG000AGM
Chemical Name:
Benzenethiol, 2,4,6-tris(trifluoromethyl)-
CAS Number:
114071-28-2
Molecular Formula:
C9H3F9S
Molecular Weight:
314.1707
IUPAC Name:
2,4,6-tris(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C9H3F9S/c10-7(11,12)3-1-4(8(13,14)15)6(19)5(2-3)9(16,17)18/h1-2,19H
InChI Key:
CUBDAQNIOZEAJO-UHFFFAOYSA-N
SMILES:
Sc1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.981g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.169g/mol
Monoisotopic Mass:
313.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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