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1254177-53-1 | Benzenepropanenitrile, 4-chloro-α-(4-nitrophenyl)-
CAS No: 1254177-53-1 Catalog No: AG000NO5 MDL No:
Product Description
Catalog Number:
AG000NO5
Chemical Name:
Benzenepropanenitrile, 4-chloro-α-(4-nitrophenyl)-
CAS Number:
1254177-53-1
Molecular Formula:
C15H11ClN2O2
Molecular Weight:
286.7130
IUPAC Name:
3-(4-chlorophenyl)-2-(4-nitrophenyl)propanenitrile
InChI:
InChI=1S/C15H11ClN2O2/c16-14-5-1-11(2-6-14)9-13(10-17)12-3-7-15(8-4-12)18(19)20/h1-8,13H,9H2
InChI Key:
MJDDJVOPGKIEDP-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)Cl
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.715g/mol
Monoisotopic Mass:
286.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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