1-[2-(4-Methyl-3-nitrophenyl)hydrazinylidene]naphthalen-2(1H)-one
Basic information
- CAS
25060-05-3- Standard SMILES
Cc1ccc(N=Nc2c(O)ccc3ccccc23)cc1[N+](=O)[O-]- InChIKey
VRUWHFQTXRLIKX-UHFFFAOYSA-N- Molecular formula
- C17H13N3O3
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.09569129
Names & identifiers
- Preferred name
- 1-[2-(4-Methyl-3-nitrophenyl)hydrazinylidene]naphthalen-2(1H)-one
- IUPAC
- 1-[(4-methyl-3-nitrophenyl)diazenyl]naphthalen-2-ol
Names & synonyms
25060-05-3SCHEMBL31222676DTXSID907807231-[2-(4-Methyl-3-nitrophenyl)hydrazinylidene]naphthalen-2(1H)-one
Database identifiers
- CAS
25060-05-3- PubChem CID
- 136239703
- DTXSID
DTXSID90780723
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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