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87954-00-5 | 4-Cinnolinecarboxamide, 3-nitro-
CAS No: 87954-00-5 Catalog No: AG004D4M MDL No:
Product Description
Catalog Number:
AG004D4M
Chemical Name:
4-Cinnolinecarboxamide, 3-nitro-
CAS Number:
87954-00-5
Molecular Formula:
C9H6N4O3
Molecular Weight:
218.1689
IUPAC Name:
3-nitrocinnoline-4-carboxamide
InChI:
InChI=1S/C9H6N4O3/c10-8(14)7-5-3-1-2-4-6(5)11-12-9(7)13(15)16/h1-4H,(H2,10,14)
InChI Key:
SSQIRUQAOVZBRF-UHFFFAOYSA-N
SMILES:
NC(=O)c1c(nnc2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.172g/mol
Monoisotopic Mass:
218.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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