Home Nitriles Benzonitrile, 4,5-difluoro-2-nitro-

Benzonitrile, 4,5-difluoro-2-nitro-

CAS No.:
165671-05-6
Catalog Number:
AG001WAH
Molecular Formula:
C7H2F2N2O2
Molecular Weight:
184.0998
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Product Description
Catalog Number:
AG001WAH
Chemical Name:
Benzonitrile, 4,5-difluoro-2-nitro-
CAS Number:
165671-05-6
Molecular Formula:
C7H2F2N2O2
Molecular Weight:
184.0998
MDL Number:
MFCD11226292
IUPAC Name:
4,5-difluoro-2-nitrobenzonitrile
InChI:
InChI=1S/C7H2F2N2O2/c8-5-1-4(3-10)7(11(12)13)2-6(5)9/h1-2H
InChI Key:
XEYAZDHOOLYSMN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1[N+](=O)[O-])F
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.008g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.102g/mol
Monoisotopic Mass:
184.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties