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1369761-62-5 | Benzeneacetonitrile, 2,6-difluoro-3-nitro-
CAS No: 1369761-62-5 Catalog No: AG0012MA MDL No:MFCD22571061
Product Description
Catalog Number:
AG0012MA
Chemical Name:
Benzeneacetonitrile, 2,6-difluoro-3-nitro-
CAS Number:
1369761-62-5
Molecular Formula:
C8H4F2N2O2
Molecular Weight:
198.1264
MDL Number:
MFCD22571061
IUPAC Name:
2-(2,6-difluoro-3-nitrophenyl)acetonitrile
InChI:
InChI=1S/C8H4F2N2O2/c9-6-1-2-7(12(13)14)8(10)5(6)3-4-11/h1-2H,3H2
InChI Key:
AYAXNKAHVMIFCA-UHFFFAOYSA-N
SMILES:
N#CCc1c(F)ccc(c1F)[N+](=O)[O-]
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.129g/mol
Monoisotopic Mass:
198.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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