Basic information
- CAS
126920-10-3- Standard SMILES
CC1(C)OC(=O)C(=CC(=CNc2ccc(Br)cc2)C(Nc2ccc(Br)cc2)c2ccco2)C(=O)O1- InChIKey
DXJVUZJNCQNAPM-UHFFFAOYSA-N- Molecular formula
- C26H22Br2N2O5
- Average molar mass
- 602.3 g/mol
Names & identifiers
- Preferred name
- 5-[3-(4-Bromoanilino)-2-[(4-bromoanilino)-(furan-2-yl)methyl]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[3-(4-bromoanilino)-2-[(4-bromoanilino)-(furan-2-yl)methyl]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- English name
- 5-{3-(4-bromoanilino)-2-[(4-bromoanilino)(2-furyl)methyl]-2-propenylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
- Molecular formula
- C26H22Br2N2O5
- Molecular weight
- 602.27
Names & synonyms
5-{3-(4-bromoanilino)-2-[(4-bromoanilino)(2-furyl)methyl]-2-propenylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Database identifiers
- CAS
126920-10-3
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 808
Physicochemical properties
- Melting point
- 186 · 186-189 °C
- Boiling point
- 732.235 · 732.235±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.637 · 1.637±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.891 · 0.891±0.50(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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