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Home > Fluorides > 146070-34-0
146070-34-0 | Benzonitrile, 2-fluoro-4-(trifluoromethyl)-
CAS No: 146070-34-0 Catalog No: AG001DNX MDL No:MFCD00061279
Product Description
Catalog Number:
AG001DNX
Chemical Name:
Benzonitrile, 2-fluoro-4-(trifluoromethyl)-
CAS Number:
146070-34-0
Molecular Formula:
C8H3F4N
Molecular Weight:
189.1097
MDL Number:
MFCD00061279
IUPAC Name:
2-fluoro-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
InChI Key:
JLTYVTXTSOYXMX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)C(F)(F)F
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.113g/mol
Monoisotopic Mass:
189.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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