Basic information
- CAS
374684-39-6- Standard SMILES
O=C(Nc1ccc(Br)cc1Br)c1cccc(Cc2ccccc2)c1O- InChIKey
YYXLYUUVMIIGNM-UHFFFAOYSA-N- Molecular formula
- C20H15Br2NO2
- Average molar mass
- 461.1 g/mol
- Monoisotopic mass
- 458.94695
Names & identifiers
- Preferred name
- 3-benzyl-N-(2,4-dibromophenyl)-2-hydroxybenzamide
- IUPAC
- 3-benzyl-N-(2,4-dibromophenyl)-2-hydroxybenzamide
- English name
- 3-Benzyl-N-(2,4-dibromophenyl)-2-hydroxybenzamide
- Molecular formula
- C20H15Br2NO2
- Molecular weight
- 461.15
Names & synonyms
3-benzyl-N-(2,4-dibromophenyl)-2-hydroxybenzamideAKOS024403870Benzamide, N-(2,4-dibromophenyl)-2-hydroxy-3-(phenylmethyl)-
Database identifiers
- CAS
374684-39-6- PubChem CID
- 4609367
- EC Number
- 114-267-7
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Boiling point
- 486.771 · 486.771±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.656 · 1.656±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.32 · 8.320±0.50(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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