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Home > Nitro Compounds > 137531-20-5
137531-20-5 | Phenanthridine, 2-nitro-
CAS No: 137531-20-5 Catalog No: AG0013IQ MDL No:
Product Description
Catalog Number:
AG0013IQ
Chemical Name:
Phenanthridine, 2-nitro-
CAS Number:
137531-20-5
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
IUPAC Name:
2-nitrophenanthridine
InChI:
InChI=1S/C13H8N2O2/c16-15(17)10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-14-13/h1-8H
InChI Key:
VNGBWZWREQUEMN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1ccccc1cn2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.219g/mol
Monoisotopic Mass:
224.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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