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1000339-92-3 | Benzeneacetonitrile, 2-fluoro-5-nitro-
CAS No: 1000339-92-3 Catalog No: AG0000DE MDL No:MFCD09864689
Product Description
Catalog Number:
AG0000DE
Chemical Name:
Benzeneacetonitrile, 2-fluoro-5-nitro-
CAS Number:
1000339-92-3
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD09864689
IUPAC Name:
2-(2-fluoro-5-nitrophenyl)acetonitrile
InChI:
InChI=1S/C8H5FN2O2/c9-8-2-1-7(11(12)13)5-6(8)3-4-10/h1-2,5H,3H2
InChI Key:
SQSDEFBOBWGPAS-UHFFFAOYSA-N
SMILES:
N#CCc1cc(ccc1F)[N+](=O)[O-]
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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