Basic information
- CAS
316137-89-0- Standard SMILES
COc1ccc(OC)c(N=Cc2cc(Cl)cc(Cl)c2O)c1- InChIKey
HBTQHNKMJASLIF-UHFFFAOYSA-N- Molecular formula
- C15H13Cl2NO3
- Average molar mass
- 326.2 g/mol
- Monoisotopic mass
- 325.0272487
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-((2,5-dimethoxy-phenylimino)-methyl)-phenol
- IUPAC
- 2,4-dichloro-6-[(2,5-dimethoxyphenyl)iminomethyl]phenol
- English name
- 2,4-Dichloro-6-((2,5-dimethoxy-phenylimino)-methyl)-phenol
- Molecular formula
- C15H13Cl2NO3
- Molecular weight
- 326.18
Names & synonyms
2-[(1E)-2-(2,5-dimethoxyphenyl)-2-azavinyl]-4,6-dichlorophenolAKOS003409922ST0104562,4-DICHLORO-6-((2,5-DIMETHOXY-PHENYLIMINO)-METHYL)-PHENOLPhenol, 2,4-dichloro-6-[[(2,5-dimethoxyphenyl)imino]methyl]-
Database identifiers
- CAS
316137-89-0- PubChem CID
- 710294
- EC Number
- 167-429-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Melting point
- 120 °C · 120 °C(Solvent: Ethanol)
- Boiling point
- 515.458 · 515.458±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.31 · 1.310±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.187 · 6.187±0.48(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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