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Home > Nitro Compounds > 2096-38-0
2096-38-0 | Cinnoline, 3-nitro-, 1-oxide
CAS No: 2096-38-0 Catalog No: AG002KBQ MDL No:MFCD01736906
Product Description
Catalog Number:
AG002KBQ
Chemical Name:
Cinnoline, 3-nitro-, 1-oxide
CAS Number:
2096-38-0
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
MDL Number:
MFCD01736906
IUPAC Name:
3-nitro-1-oxidocinnolin-1-ium
InChI:
InChI=1S/C8H5N3O3/c12-10-7-4-2-1-3-6(7)5-8(9-10)11(13)14/h1-5H
InChI Key:
XUUDPWHAWCZIRS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2ccccc2[n+](n1)[O-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.146g/mol
Monoisotopic Mass:
191.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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