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288386-22-1 | Benzeneacetonitrile, 4-fluoro-2-nitro-5-(phenylmethoxy)-
CAS No: 288386-22-1 Catalog No: AG002WR1 MDL No:
Product Description
Catalog Number:
AG002WR1
Chemical Name:
Benzeneacetonitrile, 4-fluoro-2-nitro-5-(phenylmethoxy)-
CAS Number:
288386-22-1
Molecular Formula:
C15H11FN2O3
Molecular Weight:
286.2578
IUPAC Name:
2-(4-fluoro-2-nitro-5-phenylmethoxyphenyl)acetonitrile
InChI:
InChI=1S/C15H11FN2O3/c16-13-9-14(18(19)20)12(6-7-17)8-15(13)21-10-11-4-2-1-3-5-11/h1-5,8-9H,6,10H2
InChI Key:
LUNHHPOZZSODQX-UHFFFAOYSA-N
SMILES:
N#CCc1cc(OCc2ccccc2)c(cc1[N+](=O)[O-])F
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.262g/mol
Monoisotopic Mass:
286.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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