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Home > Fluorides > 798569-90-1
798569-90-1 | Benzenethiol, 2,4-bis(trifluoromethyl)-
CAS No: 798569-90-1 Catalog No: AG005557 MDL No:
Product Description
Catalog Number:
AG005557
Chemical Name:
Benzenethiol, 2,4-bis(trifluoromethyl)-
CAS Number:
798569-90-1
Molecular Formula:
C8H4F6S
Molecular Weight:
246.1728
IUPAC Name:
2,4-bis(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C8H4F6S/c9-7(10,11)4-1-2-6(15)5(3-4)8(12,13)14/h1-3,15H
InChI Key:
MJZJURYIHAUMBE-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.17g/mol
Monoisotopic Mass:
245.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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