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Home > Fluorides > 114152-21-5
114152-21-5 | Benzeneacetonitrile, 2,3,6-trifluoro-
CAS No: 114152-21-5 Catalog No: AG000AO9 MDL No:MFCD00061219
Product Description
Catalog Number:
AG000AO9
Chemical Name:
Benzeneacetonitrile, 2,3,6-trifluoro-
CAS Number:
114152-21-5
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD00061219
IUPAC Name:
2-(2,3,6-trifluorophenyl)acetonitrile
InChI:
InChI=1S/C8H4F3N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2
InChI Key:
PQIFHBOOYBTJLD-UHFFFAOYSA-N
SMILES:
N#CCc1c(F)ccc(c1F)F
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.122g/mol
Monoisotopic Mass:
171.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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