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80517-21-1 | 4-Fluoro-2-nitrobenzonitrile
CAS No: 80517-21-1 Catalog No: AG003LDJ MDL No:MFCD00277447
Product Description
Catalog Number:
AG003LDJ
Chemical Name:
4-Fluoro-2-nitrobenzonitrile
CAS Number:
80517-21-1
Molecular Formula:
C7H3FN2O2
Molecular Weight:
166.1093
MDL Number:
MFCD00277447
IUPAC Name:
4-fluoro-2-nitrobenzonitrile
InChI:
InChI=1S/C7H3FN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H
InChI Key:
MNEAKKQYFSYZEU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1[N+](=O)[O-])F
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.111g/mol
Monoisotopic Mass:
166.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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