Basic information
- CAS
7152-61-6- Standard SMILES
CC(Br)C(OC(=O)c1ccccc1Cl)c1cc2c(cc1Br)OCO2- InChIKey
OYRYQINIKOPUTO-UHFFFAOYSA-N- Molecular formula
- C17H13Br2ClO4
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 473.88691
Names & identifiers
- Preferred name
- [2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl] 2-chlorobenzoate
- IUPAC
- [2-bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl] 2-chlorobenzoate
Names & synonyms
7152-61-6NSC24726DTXSID50992002NSC-247262-Bromo-1-(6-bromo-2H-1,3-benzodioxol-5-yl)propyl 2-chlorobenzoate
Database identifiers
- CAS
7152-61-6- PubChem CID
- 230147
- DTXSID
DTXSID50992002
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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