5-Methyl-4-[(2-nitrophenyl)methylideneamino]-2-propan-2-ylphenol
Basic information
- CAS
6265-34-5- Standard SMILES
Cc1cc(O)c(C(C)C)cc1N=Cc1ccccc1[N+](=O)[O-]- InChIKey
HKNXEPCUZAGUHS-UHFFFAOYSA-N- Molecular formula
- C17H18N2O3
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.13174244
Names & identifiers
- Preferred name
- 5-Methyl-4-[(2-nitrophenyl)methylideneamino]-2-propan-2-ylphenol
- IUPAC
- 5-methyl-4-[(2-nitrophenyl)methylideneamino]-2-propan-2-ylphenol
Names & synonyms
MLS0026394316265-34-5HMS3079H09NSC32008CHEMBL1714283DTXSID70283540NSC-32008SMR0015488755-Methyl-4-{(E)-[(2-nitrophenyl)methylidene]amino}-2-(propan-2-yl)phenol
Database identifiers
- CAS
6265-34-5- PubChem CID
- 233473
- DTXSID
DTXSID70283540- ChEMBL
CHEMBL1714283
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
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Compound notes
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