Basic information
- CAS
38226-31-2- Standard SMILES
O=[N+]([O-])c1ccc(O)c(C=Nc2cccc3ccccc23)c1- InChIKey
QDWCXYVLYFJRSK-UHFFFAOYSA-N- Molecular formula
- C17H12N2O3
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.08479225
Names & identifiers
- Preferred name
- 2-(Naphthalen-1-yliminomethyl)-4-nitro-phenol
- IUPAC
- 2-(naphthalen-1-yliminomethyl)-4-nitrophenol
Names & synonyms
2-(Naphthalen-1-yliminomethyl)-4-nitro-phenolCBChromo1_000230CBDivE_011057MLS0012072892-[(E)-(naphthalen-1-ylimino)methyl]-4-nitrophenolCHEMBL3194260SCHEMBL22624834HMS2818C08STK010129AKOS000483795SMR000514600ST010230
Show more names
2-((1E)-2-naphthyl-2-azavinyl)-4-nitrophenol
Database identifiers
- CAS
38226-31-2- PubChem CID
- 690984
- ChEMBL
CHEMBL3194260- EC Number
- 167-377-2
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Experimental & physicochemical properties
Solubility24.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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