Basic information
- CAS
110729-91-4- Standard SMILES
Oc1c(Cl)cc(Cl)cc1C=Nc1ccc(Br)cc1- InChIKey
SCFYGKJRFQUEST-UHFFFAOYSA-N- Molecular formula
- C13H8BrCl2NO
- Average molar mass
- 345 g/mol
- Monoisotopic mass
- 342.91663
Overview
6-[(4-bromoanilino)methylidene]-2,4-dichloro-1-cyclohexa-2,4-dienone is a member of quinomethanes.
Names & identifiers
- Preferred name
- 2-{[(4-Bromophenyl)imino]methyl}-4,6-dichlorophenol
- IUPAC
- 2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenol
- English name
- 2-{[(4-bromophenyl)imino]methyl}-4,6-dichlorophenol
- Molecular formula
- C13H8BrCl2NO
- Molecular weight
- 345.02
Names & synonyms
2-{[(4-bromophenyl)imino]methyl}-4,6-dichlorophenol2-[(4-bromophenyl)iminomethyl]-4,6-dichlorophenolSMR000161934MLS000540059CHEMBL3196308CHEBI:121751REGID_for_CID_5396510HMS2176E07STK523253AKOS001703961ST010463Q27210320
Show more names
2-{(E)-[(4-bromophenyl)imino]methyl}-4,6-dichlorophenol2-((4-BROMO-PHENYLIMINO)-METHYL)-4,6-DICHLORO-PHENOL2-[(1E)-2-(4-bromophenyl)-2-azavinyl]-4,6-dichlorophenol6-[(4-bromoanilino)methylidene]-2,4-dichloro-1-cyclohexa-2,4-dienone
Database identifiers
- CAS
110729-91-4- PubChem CID
- 710302
- ChEMBL
CHEMBL3196308- ChEBI
CHEBI:121751- EC Number
- 167-438-3
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 155 °C · 155 °C
- Boiling point
- 447.225 · 447.225±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.582 · 1.582±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.214 · 6.214±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]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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