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651-84-3 | 4-TRIFLUOROMETHYL-2,3,5,6-TETRAFLUOROTHIOPHENOL
CAS No: 651-84-3 Catalog No: AG003M2O MDL No:MFCD00191594
Product Description
Catalog Number:
AG003M2O
Chemical Name:
4-TRIFLUOROMETHYL-2,3,5,6-TETRAFLUOROTHIOPHENOL
CAS Number:
651-84-3
Molecular Formula:
C7HF7S
Molecular Weight:
250.1367
MDL Number:
MFCD00191594
IUPAC Name:
2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C7HF7S/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H
InChI Key:
BXMOMKVOHOSVJH-UHFFFAOYSA-N
SMILES:
Fc1c(S)c(F)c(c(c1F)C(F)(F)F)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.969g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.134g/mol
Monoisotopic Mass:
249.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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