Basic information
- CAS
736-25-4- Standard SMILES
O=Nc1ccc(NNC(=O)c2ccccc2)c(=O)cc1- InChIKey
FYVMVDFXQYNRKM-UHFFFAOYSA-N- Molecular formula
- C14H11N3O3
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.08004122
Names & identifiers
- Preferred name
- Benzoic acid, 2-(4-nitroso-7-oxo-1,3,5-cycloheptatrien-1-yl)hydrazide
- IUPAC
- N'-(4-nitroso-7-oxocyclohepta-1,3,5-trien-1-yl)benzohydrazide
Names & synonyms
BRN 0667424RCH-1712-Benzoylhydrazino-5-nitrosotropone736-25-4BENZOIC ACID, 2-(4-NITROSO-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YL)HYDRAZIDEDTXSID90223786RefChem:326771DTXCID20146277N'-(4-nitroso-7-oxocyclohepta-1,3,5-trien-1-yl)benzohydrazide
Database identifiers
- CAS
736-25-4- PubChem CID
- 12912
- DTXSID
DTXSID90223786
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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