Basic information
- CAS
299201-29-9- Standard SMILES
Oc1ccc(Br)cc1C=Nc1cccc(Cl)c1Cl- InChIKey
PMHJKTGIWGSOBS-UHFFFAOYSA-N- Molecular formula
- C13H8BrCl2NO
- Average molar mass
- 345 g/mol
- Monoisotopic mass
- 342.91663
Names & identifiers
- Preferred name
- 4-Bromo-2-((2,3-dichloro-phenylimino)-methyl)-phenol
- IUPAC
- 4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol
- English name
- 4-Bromo-2-((2,3-dichloro-phenylimino)-methyl)-phenol
- Molecular formula
- C13H8BrCl2NO
- Molecular weight
- 345.02
Names & synonyms
SCHEMBL30342959AKOS001703238ST0103104-bromo-2-{[(2,3-dichlorophenyl)imino]methyl}phenol2-[(1E)-2-(2,3-dichlorophenyl)-2-azavinyl]-4-bromophenol4-BROMO-2-((2,3-DICHLORO-PHENYLIMINO)-METHYL)-PHENOLPhenol, 4-bromo-2-[[(2,3-dichlorophenyl)imino]methyl]-
Database identifiers
- CAS
299201-29-9- PubChem CID
- 710129
- EC Number
- 167-460-3
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
- 303
Physicochemical properties
- Boiling point
- 493.134 · 493.134±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
- 7.453 · 7.453±0.43(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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