Basic information
- CAS
354796-32-0- Standard SMILES
N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2)cc1C#N- InChIKey
ZEOPZLTWUXTWIQ-UHFFFAOYSA-N- Molecular formula
- C23H13BrN2O4
- Average molar mass
- 461.3 g/mol
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 4-(3,4-dicyanophenoxy)benzoate
- English name
- 2-(4-bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate
- Molecular formula
- C23H13BrN2O4
- Molecular weight
- 461.26432
Names & synonyms
2-(4-bromophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate354796-32-0Oprea1_653097[2-(4-bromophenyl)-2-oxoethyl] 4-(3,4-dicyanophenoxy)benzoateAKOS002528380AG-205/08183052
Database identifiers
- CAS
354796-32-0
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 707
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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