2-{[(e)-(4-Chlorophenyl)methylidene]amino}phenol
Basic information
- CAS
5348-11-8- Standard SMILES
Oc1ccccc1N=Cc1ccc(Cl)cc1- InChIKey
APRQRRDWZCCWRO-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO
- Average molar mass
- 231.68 g/mol
- Monoisotopic mass
- 231.0450916
Names & identifiers
- Preferred name
- 2-{[(e)-(4-Chlorophenyl)methylidene]amino}phenol
- IUPAC
- 2-[(4-chlorophenyl)methylideneamino]phenol
- English name
- 2-(4-CHLOROBENZYLIDENEAMINO)PHENOL
- Molecular formula
- C13H10ClNO
- Molecular weight
- 231.68
Names & synonyms
5348-11-82-{[(e)-(4-chlorophenyl)methylidene]amino}phenol2-[(4-chlorophenyl)methylideneamino]phenolNSC15442-(4-Chlorobenzylideneamino)phenolSCHEMBL14385959DTXSID60277296NSC-15444-chlorobenzylidene-2-hydroxyanilineN-(4-chlorobenzylidene)-2-hydroxyaniline2-[(4-CHLOROBENZYLIDENE)AMINO]PHENOL2-{(E)-[(4-Chlorophenyl)methylidene]amino}phenol
Database identifiers
- CAS
5348-11-8- PubChem CID
- 219801
- DTXSID
DTXSID60277296- Nikkaji
- J1.831.041D、J836.416H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 116 · 116-118 °C(Solvent: Ethanol)
- Boiling point
- 397.023 · 397.023±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.181 · 1.181±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.281 · 9.281±0.30(predicted)
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Compound notes
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