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82174-09-2 | 2-(3-((Trifluoromethyl)thio)phenyl)acetonitrile
CAS No: 82174-09-2 Catalog No: AG004W45 MDL No:MFCD00236353
Product Description
Catalog Number:
AG004W45
Chemical Name:
2-(3-((Trifluoromethyl)thio)phenyl)acetonitrile
CAS Number:
82174-09-2
Molecular Formula:
C9H6F3NS
Molecular Weight:
217.2108
MDL Number:
MFCD00236353
IUPAC Name:
2-[3-(trifluoromethylsulfanyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H6F3NS/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
InChI Key:
KAWIEADJQRWSEU-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)SC(F)(F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.209g/mol
Monoisotopic Mass:
217.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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