Basic information
- CAS
79059-85-1- Standard SMILES
Cc1ccc(N=Nc2ccccc2[N+](=O)[O-])c(O)c1- InChIKey
VHNOABFYDJGZOB-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.08004122
Names & identifiers
- Preferred name
- 3-Methyl-6-[2-(2-nitrophenyl)hydrazinylidene]cyclohexa-2,4-dien-1-one
- IUPAC
- 5-methyl-2-[(2-nitrophenyl)diazenyl]phenol
Names & synonyms
79059-85-1SCHEMBL9717750SCHEMBL9717753DTXSID407110473-Methyl-6-[2-(2-nitrophenyl)hydrazinylidene]cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
79059-85-1- PubChem CID
- 136019042
- DTXSID
DTXSID40711047
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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