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Home > Nitro Compounds > 306991-09-3
306991-09-3 | 4-Cinnolinol, 5-nitro-
CAS No: 306991-09-3 Catalog No: AG0030ZC MDL No:
Product Description
Catalog Number:
AG0030ZC
Chemical Name:
4-Cinnolinol, 5-nitro-
CAS Number:
306991-09-3
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
IUPAC Name:
5-nitro-1H-cinnolin-4-one
InChI:
InChI=1S/C8H5N3O3/c12-7-4-9-10-5-2-1-3-6(8(5)7)11(13)14/h1-4H,(H,10,12)
InChI Key:
ZIPKILGHRIMBEY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c(O)cnn2
Properties
Complexity:
297
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.146g/mol
Monoisotopic Mass:
191.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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