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1214328-20-7 | Benzonitrile, 2-fluoro-3-nitro-
CAS No: 1214328-20-7 Catalog No: AG0014RK MDL No:MFCD11849938
Product Description
Catalog Number:
AG0014RK
Chemical Name:
Benzonitrile, 2-fluoro-3-nitro-
CAS Number:
1214328-20-7
Molecular Formula:
C7H3FN2O2
Molecular Weight:
166.1093
MDL Number:
MFCD11849938
IUPAC Name:
2-fluoro-3-nitrobenzonitrile
InChI:
InChI=1S/C7H3FN2O2/c8-7-5(4-9)2-1-3-6(7)10(11)12/h1-3H
InChI Key:
LHCVWZUYSBZIKE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1F)[N+](=O)[O-]
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:
1.6
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