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Home > Nitro Compounds > 139952-08-2
139952-08-2 | Benzene, 1-nitro-4-(1-phenyl-2-cyclopenten-1-yl)-
CAS No: 139952-08-2 Catalog No: AG001BUW MDL No:
Product Description
Catalog Number:
AG001BUW
Chemical Name:
Benzene, 1-nitro-4-(1-phenyl-2-cyclopenten-1-yl)-
CAS Number:
139952-08-2
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
1-nitro-4-(1-phenylcyclopent-2-en-1-yl)benzene
InChI:
InChI=1S/C17H15NO2/c19-18(20)16-10-8-15(9-11-16)17(12-4-5-13-17)14-6-2-1-3-7-14/h1-4,6-12H,5,13H2
InChI Key:
KWOVLIHVQNEEEM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1(CCC=C1)c1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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