2,4-Dichloro-6-((3-nitro-phenylimino)-methyl)-phenol
Basic information
- CAS
316138-05-3- Standard SMILES
O=[N+]([O-])c1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1- InChIKey
XDXHTUUAEUUYAP-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2N2O3
- Average molar mass
- 311.12 g/mol
- Monoisotopic mass
- 309.9911975
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-((3-nitro-phenylimino)-methyl)-phenol
- IUPAC
- 2,4-dichloro-6-[(3-nitrophenyl)iminomethyl]phenol
- English name
- 2,4-Dichloro-6-((3-nitro-phenylimino)-methyl)-phenol
- Molecular formula
- C13H8Cl2N2O3
- Molecular weight
- 311.12
Names & synonyms
AKOS003408330ST0104522,4-DICHLORO-6-((3-NITRO-PHENYLIMINO)-METHYL)-PHENOL2-[(1E)-2-(3-nitrophenyl)-2-azavinyl]-4,6-dichlorophenolPhenol, 2,4-dichloro-6-[[(3-nitrophenyl)imino]methyl]-
Database identifiers
- CAS
316138-05-3- PubChem CID
- 710289
- EC Number
- 167-422-6
Properties
Computed structural properties
- XLogP
- 4
- 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
- 375
Physicochemical properties
- Boiling point
- 474.242 · 474.242±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.475 · 1.475±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.203 · 6.203±0.48(predicted)
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Compound notes
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