[2-(Acetyloxy)-3,5-dibromophenyl]methanediyl diacetate

HCID 219947

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Basic information

CAS: 5346-20-3
Standard SMILES: CC(=O)Oc1c(Br)cc(Br)cc1C(OC(C)=O)OC(C)=O
InChIKey: KTDIRZLKEJFPFP-UHFFFAOYSA-N
Molecular formula: C13H12Br2O6
Average molar mass: 424.04 g/mol
Monoisotopic mass: 421.90006

Names & identifiers

Preferred name: [2-(Acetyloxy)-3,5-dibromophenyl]methanediyl diacetate
IUPAC: [2,4-dibromo-6-(diacetyloxymethyl)phenyl] acetate

Names & synonyms

5346-20-3(2-Acetoxy-3,5-dibromophenyl)methylene diacetate[2-(acetyloxy)-3,5-dibromophenyl]methanediyl diacetateNSC17983,,ALPHA.-DIOLDTXSID30277349NSC-1798[2-(Acetyloxy)-3,5-dibromophenyl]methylene diacetate

Database identifiers

CAS: 5346-20-3
PubChem CID: 219947
DTXSID: DTXSID30277349

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 397

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