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Home > Indoles and Oxindole > 1741-96-4
1741-96-4 | 1H-Indole, 3-(4-nitrophenyl)-2-phenyl-
CAS No: 1741-96-4 Catalog No: AG001ZGN MDL No:
Product Description
Catalog Number:
AG001ZGN
Chemical Name:
1H-Indole, 3-(4-nitrophenyl)-2-phenyl-
CAS Number:
1741-96-4
Molecular Formula:
C20H14N2O2
Molecular Weight:
314.3374
IUPAC Name:
3-(4-nitrophenyl)-2-phenyl-1H-indole
InChI:
InChI=1S/C20H14N2O2/c23-22(24)16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21-20(19)15-6-2-1-3-7-15/h1-13,21H
InChI Key:
AQBBAPDVKBRSFU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.344g/mol
Monoisotopic Mass:
314.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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