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Home > Nitro Compounds > 78255-99-9
78255-99-9 | 6(5H)-Phenanthridinone, 8-nitro-
CAS No: 78255-99-9 Catalog No: AG0054AE MDL No:
Product Description
Catalog Number:
AG0054AE
Chemical Name:
6(5H)-Phenanthridinone, 8-nitro-
CAS Number:
78255-99-9
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
IUPAC Name:
8-nitro-5H-phenanthridin-6-one
InChI:
InChI=1S/C13H8N2O3/c16-13-11-7-8(15(17)18)5-6-9(11)10-3-1-2-4-12(10)14-13/h1-7H,(H,14,16)
InChI Key:
DWJTXUCDDWXLSX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)[nH]c1c2cccc1
NSC Number:
100821
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.218g/mol
Monoisotopic Mass:
240.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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