Home Nitriles Benzeneacetonitrile,5-fluoro-2-(trifluoromethyl)-

Benzeneacetonitrile,5-fluoro-2-(trifluoromethyl)-

CAS No.:
242812-09-5
Catalog Number:
AG007NU6
Molecular Formula:
C9H5F4N
Molecular Weight:
203.1363
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Product Description
Catalog Number:
AG007NU6
Chemical Name:
Benzeneacetonitrile,5-fluoro-2-(trifluoromethyl)-
CAS Number:
242812-09-5
Molecular Formula:
C9H5F4N
Molecular Weight:
203.1363
MDL Number:
MFCD06247720
IUPAC Name:
2-[5-fluoro-2-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H5F4N/c10-7-1-2-8(9(11,12)13)6(5-7)3-4-14/h1-2,5H,3H2
InChI Key:
ODNBTVLWRJNGCS-UHFFFAOYSA-N
SMILES:
N#CCc1cc(F)ccc1C(F)(F)F
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.14g/mol
Monoisotopic Mass:
203.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties