Basic information
- CAS
78095-98-4- Standard SMILES
Cc1c(Cl)cccc1N=Cc1cc([N+](=O)[O-])ccc1O- InChIKey
YPXQQBAIYPQZNZ-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O3
- Average molar mass
- 290.7 g/mol
- Monoisotopic mass
- 290.0458199
Names & identifiers
- Preferred name
- 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol
- IUPAC
- 2-[(3-chloro-2-methylphenyl)iminomethyl]-4-nitrophenol
- English name
- 2-{[(3-chloro-2-methylphenyl)imino]methyl}-4-nitrophenol
- Molecular formula
- C14H11ClN2O3
- Molecular weight
- 290.7
Names & synonyms
2-{[(3-chloro-2-methylphenyl)imino]methyl}-4-nitrophenolAN-329/11378334STK019290AKOS000483871(6E)-6-[(3-chloro-2-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-oneST450308172-[(3-chloro-2-methylphenyl)iminomethyl]-4-nitrophenol2-{(E)-[(3-chloro-2-methylphenyl)imino]methyl}-4-nitrophenol2-((3-CHLORO-2-METHYL-PHENYLIMINO)-METHYL)-4-NITRO-PHENOL2-[(1E)-2-(3-chloro-2-methylphenyl)-2-azavinyl]-4-nitrophenol
Database identifiers
- CAS
78095-98-4- PubChem CID
- 780583
- EC Number
- 141-549-7
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Melting point
- 185 °C · 185 °C
- Boiling point
- 481.644 · 481.644±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.341 · 1.341±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.464 · 5.464±0.16(predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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