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Home > Indoles and Oxindole > 115057-80-2
115057-80-2 | 1H-Naphth[2,3-g]indole-6,11-dione, 5-nitro-2-phenyl-
CAS No: 115057-80-2 Catalog No: AG000FTQ MDL No:
Product Description
Catalog Number:
AG000FTQ
Chemical Name:
1H-Naphth[2,3-g]indole-6,11-dione, 5-nitro-2-phenyl-
CAS Number:
115057-80-2
Molecular Formula:
C22H12N2O4
Molecular Weight:
368.3417
IUPAC Name:
5-nitro-2-phenyl-1H-naphtho[2,3-g]indole-6,11-dione
InChI:
InChI=1S/C22H12N2O4/c25-21-14-8-4-5-9-15(14)22(26)19-18(21)17(24(27)28)11-13-10-16(23-20(13)19)12-6-2-1-3-7-12/h1-11,23H
InChI Key:
VYVBMAISUFEACZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cc([nH]c2c2c1C(=O)c1ccccc1C2=O)c1ccccc1
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.08g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.348g/mol
Monoisotopic Mass:
368.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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