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143879-77-0 | Benzonitrile, 2,6-difluoro-3-nitro-
CAS No: 143879-77-0 Catalog No: AG001IJM MDL No:MFCD00042254
Product Description
Catalog Number:
AG001IJM
Chemical Name:
Benzonitrile, 2,6-difluoro-3-nitro-
CAS Number:
143879-77-0
Molecular Formula:
C7H2F2N2O2
Molecular Weight:
184.0998
MDL Number:
MFCD00042254
IUPAC Name:
2,6-difluoro-3-nitrobenzonitrile
InChI:
InChI=1S/C7H2F2N2O2/c8-5-1-2-6(11(12)13)7(9)4(5)3-10/h1-2H
InChI Key:
JQHDRFKDZHGEBQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)ccc(c1F)[N+](=O)[O-]
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
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