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1260655-24-0 | Benzeneacetonitrile, 5-chloro-4-fluoro-2-nitro-
CAS No: 1260655-24-0 Catalog No: AG000QZ8 MDL No:
Product Description
Catalog Number:
AG000QZ8
Chemical Name:
Benzeneacetonitrile, 5-chloro-4-fluoro-2-nitro-
CAS Number:
1260655-24-0
Molecular Formula:
C8H4ClFN2O2
Molecular Weight:
214.5810
IUPAC Name:
2-(5-chloro-4-fluoro-2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C8H4ClFN2O2/c9-6-3-5(1-2-11)8(12(13)14)4-7(6)10/h3-4H,1H2
InChI Key:
JQAYMBMXEMBJOS-UHFFFAOYSA-N
SMILES:
N#CCc1cc(Cl)c(cc1[N+](=O)[O-])F
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.58g/mol
Monoisotopic Mass:
213.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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