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Home > Nitro Compounds > 70092-61-4
70092-61-4 | Benzo[c]cinnoline, 2-nitro-, 6-oxide
CAS No: 70092-61-4 Catalog No: AG005LK8 MDL No:
Product Description
Catalog Number:
AG005LK8
Chemical Name:
Benzo[c]cinnoline, 2-nitro-, 6-oxide
CAS Number:
70092-61-4
Molecular Formula:
C12H7N3O3
Molecular Weight:
241.2023
IUPAC Name:
2-nitro-6-oxidobenzo[c]cinnolin-6-ium
InChI:
InChI=1S/C12H7N3O3/c16-14-12-4-2-1-3-9(12)10-7-8(15(17)18)5-6-11(10)13-14/h1-7H
InChI Key:
KQOFYNCLXBHRIR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1ccccc1[n+](n2)[O-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.206g/mol
Monoisotopic Mass:
241.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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