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Home > Fluorides > 240800-45-7
240800-45-7 | 5-Fluoro-2-(trifluoromethyl)benzonitrile
CAS No: 240800-45-7 Catalog No: AG003MQK MDL No:MFCD00236281
Product Description
Catalog Number:
AG003MQK
Chemical Name:
5-Fluoro-2-(trifluoromethyl)benzonitrile
CAS Number:
240800-45-7
Molecular Formula:
C8H3F4N
Molecular Weight:
189.1097
MDL Number:
MFCD00236281
IUPAC Name:
5-fluoro-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F4N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3H
InChI Key:
SQAZPEKSXOYPDX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)ccc1C(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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