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Home > Fluorides > 1443342-05-9
1443342-05-9 | 2-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanethiol
CAS No: 1443342-05-9 Catalog No: AG01F9BW MDL No:
Product Description
Catalog Number:
AG01F9BW
Chemical Name:
2-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanethiol
CAS Number:
1443342-05-9
Molecular Formula:
C9H8F4S
Molecular Weight:
224.2184
IUPAC Name:
2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanethiol
InChI:
InChI=1S/C9H8F4S/c10-8-4-6(1-2-14)3-7(5-8)9(11,12)13/h3-5,14H,1-2H2
InChI Key:
OBFXGRCXZOBNII-UHFFFAOYSA-N
SMILES:
SCCc1cc(F)cc(c1)C(F)(F)F
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.217g/mol
Monoisotopic Mass:
224.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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