4-Bromobenzyl 2-(4-bromophenyl)-2-oxoethyl azelaate
Basic information
- CAS
7510-53-4- Standard SMILES
O=C(CCCCCCCC(=O)OCc1ccc(Br)cc1)OCC(=O)c1ccc(Br)cc1- InChIKey
DHCXSHTVIPJMGY-UHFFFAOYSA-N- Molecular formula
- C24H26Br2O5
- Average molar mass
- 554.3 g/mol
- Monoisotopic mass
- 552.0147
Names & identifiers
- Preferred name
- 4-Bromobenzyl 2-(4-bromophenyl)-2-oxoethyl azelaate
- IUPAC
- 1-O-[(4-bromophenyl)methyl] 9-O-[2-(4-bromophenyl)-2-oxoethyl] nonanedioate
Names & synonyms
7510-53-44-bromobenzyl 2-(4-bromophenyl)-2-oxoethyl azelaateNSC405700DTXSID80324094NSC-405700(4-Bromophenyl)methyl 2-(4-bromophenyl)-2-oxoethyl nonanedioate
Database identifiers
- CAS
7510-53-4- PubChem CID
- 347186
- DTXSID
DTXSID80324094
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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