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Home > Nitro Compounds > 116449-36-6
116449-36-6 | Phenanthridine, 6-(4-nitrophenyl)-, 5-oxide
CAS No: 116449-36-6 Catalog No: AG000CIC MDL No:
Product Description
Catalog Number:
AG000CIC
Chemical Name:
Phenanthridine, 6-(4-nitrophenyl)-, 5-oxide
CAS Number:
116449-36-6
Molecular Formula:
C19H12N2O3
Molecular Weight:
316.3102
IUPAC Name:
6-(4-nitrophenyl)-5-oxidophenanthridin-5-ium
InChI:
InChI=1S/C19H12N2O3/c22-20-18-8-4-3-6-16(18)15-5-1-2-7-17(15)19(20)13-9-11-14(12-10-13)21(23)24/h1-12H
InChI Key:
FTMWYGLXNLRHRY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1[n+]([O-])c2ccccc2c2c1cccc2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.085g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.316g/mol
Monoisotopic Mass:
316.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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