Home Nitriles Benzeneacetonitrile,2-[(trifluoromethyl)thio]-

Benzeneacetonitrile,2-[(trifluoromethyl)thio]-

CAS No.:
237424-20-3
Catalog Number:
AG006V4O
Molecular Formula:
C9H6F3NS
Molecular Weight:
217.2108
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Product Description
Catalog Number:
AG006V4O
Chemical Name:
Benzeneacetonitrile,2-[(trifluoromethyl)thio]-
CAS Number:
237424-20-3
Molecular Formula:
C9H6F3NS
Molecular Weight:
217.2108
MDL Number:
MFCD00236352
IUPAC Name:
2-[2-(trifluoromethylsulfanyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H6F3NS/c10-9(11,12)14-8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
InChI Key:
IVQSJULZJSTFJM-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1SC(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  
Properties