[4-[2-(4-Acetyloxy-3,5-dibromobenzoyl)benzoyl]-2,6-dibromophenyl] acetate

HCID 344105

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Basic information

CAS: 7495-20-7
Standard SMILES: CC(=O)Oc1c(Br)cc(C(=O)c2ccccc2C(=O)c2cc(Br)c(OC(C)=O)c(Br)c2)cc1Br
InChIKey: OHIIRVWTVCHIIQ-UHFFFAOYSA-N
Molecular formula: C24H14Br4O6
Average molar mass: 718 g/mol
Monoisotopic mass: 713.75239

Names & identifiers

Preferred name: [4-[2-(4-Acetyloxy-3,5-dibromobenzoyl)benzoyl]-2,6-dibromophenyl] acetate
IUPAC: [4-[2-(4-acetyloxy-3,5-dibromobenzoyl)benzoyl]-2,6-dibromophenyl] acetate

Names & synonyms

7495-20-7NSC400824[4-[2-(4-acetyloxy-3,5-dibromobenzoyl)benzoyl]-2,6-dibromophenyl] acetateDTXSID00322274NSC-400824[(1,2-Phenylene)bis(carbonyl)-2,6-dibromo-4,1-phenylene] diacetate

Database identifiers

CAS: 7495-20-7
PubChem CID: 344105
DTXSID: DTXSID00322274

Properties

Computed structural properties

XLogP: 6.9
Topological polar surface area: 86.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 703

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