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Home > Nitro Compounds > 30727-67-4
30727-67-4 | 10H-Indeno[1,2-g]quinoline, 2-(4-nitrophenyl)-4-phenyl-
CAS No: 30727-67-4 Catalog No: AG003127 MDL No:
Product Description
Catalog Number:
AG003127
Chemical Name:
10H-Indeno[1,2-g]quinoline, 2-(4-nitrophenyl)-4-phenyl-
CAS Number:
30727-67-4
Molecular Formula:
C28H18N2O2
Molecular Weight:
414.4547
IUPAC Name:
2-(4-nitrophenyl)-4-phenyl-10H-indeno[1,2-g]quinoline
InChI:
InChI=1S/C28H18N2O2/c31-30(32)22-12-10-19(11-13-22)27-17-25(18-6-2-1-3-7-18)26-16-24-21(15-28(26)29-27)14-20-8-4-5-9-23(20)24/h1-13,15-17H,14H2
InChI Key:
AKNURDNFJXZRRX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nc2cc3Cc4c(c3cc2c(c1)c1ccccc1)cccc4
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.137g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.464g/mol
Monoisotopic Mass:
414.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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