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1028328-58-6 | 2,5-Bis-trifluoromethylbenzenethiol
CAS No: 1028328-58-6 Catalog No: AG01FDOW MDL No:MFCD12026164
Product Description
Catalog Number:
AG01FDOW
Chemical Name:
2,5-Bis-trifluoromethylbenzenethiol
CAS Number:
1028328-58-6
Molecular Formula:
C8H4F6S
Molecular Weight:
246.1728
MDL Number:
MFCD12026164
IUPAC Name:
2,5-bis(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C8H4F6S/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3,15H
InChI Key:
HZYQKKOLYUTIIJ-UHFFFAOYSA-N
SMILES:
Sc1cc(ccc1C(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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