Basic information
- CAS
664976-08-3- Standard SMILES
CCc1ccc(C(=O)COC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1- InChIKey
CLEIUINRFWTWBW-UHFFFAOYSA-N- Molecular formula
- C24H21BrO4
- Average molar mass
- 453.3 g/mol
Names & identifiers
- Preferred name
- 2-(4-Ethylphenyl)-2-oxoethyl 4-[(4-bromophenoxy)methyl]benzoate
- IUPAC
- [2-(4-ethylphenyl)-2-oxoethyl] 4-[(4-bromophenoxy)methyl]benzoate
- English name
- 2-(4-ethylphenyl)-2-oxoethyl 4-[(4-bromophenoxy)methyl]benzoate
- Molecular formula
- C24H21BrO4
- Molecular weight
- 453.32514
Names & synonyms
2-(4-ethylphenyl)-2-oxoethyl 4-[(4-bromophenoxy)methyl]benzoateAK-918/41777929[2-(4-ethylphenyl)-2-oxoethyl] 4-[(4-bromophenoxy)methyl]benzoateAKOS003650608
Database identifiers
- CAS
664976-08-3
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 513
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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