Basic information
- CAS
13657-99-3- Standard SMILES
O=[N+]([O-])c1cn[n+]([O-])c2ccccc12- InChIKey
HEOBQABYEWTBLN-UHFFFAOYSA-N- Molecular formula
- C8H5N3O3
- Average molar mass
- 191.14 g/mol
- Monoisotopic mass
- 191.03309103
Names & identifiers
- Preferred name
- Cinnoline, 4-nitro-, 1-oxide
- IUPAC
- 4-nitro-1-oxidocinnolin-1-ium
Names & synonyms
Cinnoline, 4-nitro-, 1-oxide13657-99-3DTXSID301598384-Nitrocinnoline 1-oxideBRN 0612415RefChem:334175DTXCID4082329NSC 294846CHEMBL1983207NSC2948464-Nitro-1-oxo-1lambda~5~-cinnolineNSC-294846
Show more names
NCI60_002452
Database identifiers
- CAS
13657-99-3- PubChem CID
- 100397
- DTXSID
DTXSID30159838- ChEMBL
CHEMBL1983207
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…