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Home > Nitro Compounds > 1254177-46-2
1254177-46-2 | Benzenepropanenitrile, 4-methyl-α-(4-nitrophenyl)-
CAS No: 1254177-46-2 Catalog No: AG000NO8 MDL No:
Product Description
Catalog Number:
AG000NO8
Chemical Name:
Benzenepropanenitrile, 4-methyl-α-(4-nitrophenyl)-
CAS Number:
1254177-46-2
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
3-(4-methylphenyl)-2-(4-nitrophenyl)propanenitrile
InChI:
InChI=1S/C16H14N2O2/c1-12-2-4-13(5-3-12)10-15(11-17)14-6-8-16(9-7-14)18(19)20/h2-9,15H,10H2,1H3
InChI Key:
GCMYHJAWYAWGJU-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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