Basic information
- CAS
34595-14-7- Standard SMILES
O=[N+]([O-])c1ccc(Cl)c(C=Nc2ccccc2)c1- InChIKey
IGTADUGPGNPAAA-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O2
- Average molar mass
- 260.67 g/mol
- Monoisotopic mass
- 260.0352552
Names & identifiers
- Preferred name
- 1-(2-chloro-5-nitrophenyl)-N-phenylmethanimine
- IUPAC
- 1-(2-chloro-5-nitrophenyl)-N-phenylmethanimine
- English name
- N-(2-Chloro-5-nitrobenzylidene)aniline
- Molecular formula
- C13H9ClN2O2
- Molecular weight
- 260.68
Names & synonyms
34595-14-7N-[(E)-(2-chloro-5-nitrophenyl)methylidene]aniline1-(2-chloro-5-nitrophenyl)-N-phenylmethanimineZINC00293861DTXSID20355145STK034462AKOS000483221ST45029742(E)-1-(2-Chloro-5-nitrophenyl)-N-phenylmethanimine(1E)-2-(2-chloro-5-nitrophenyl)-1-phenyl-1-azaetheneN-(2-Chloro-5-nitrobenzylidene)anilineBenzenamine, N-[(2-chloro-5-nitrophenyl)methylene]-
Database identifiers
- CAS
34595-14-7- PubChem CID
- 792425
- DTXSID
DTXSID20355145
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 403.9 · 403.9±35.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 2.32 · 2.32±0.50(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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