[2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl] 4-chlorobenzoate
Basic information
- CAS
6976-54-1- Standard SMILES
CC(Br)C(OC(=O)c1ccc(Cl)cc1)c1cc2c(cc1Br)OCO2- InChIKey
NARJJTBWXGTBFG-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] 4-chlorobenzoate
- IUPAC
- [2-bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl] 4-chlorobenzoate
- English name
- [2-bromo-1-(6-bromobenzo[1,3]dioxol-5-yl)propyl] 4-chlorobenzoate
- Molecular formula
- C17H13Br2ClO4
- Molecular weight
- 0
Names & synonyms
6976-54-1[2-bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl] 4-chlorobenzoateNSC24725DTXSID80282145NSC-247252-BROMO-1-(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)PROPYL 4-CHLOROBENZOATE[2-bromo-1-(6-bromobenzo[1,3]dioxol-5-yl)propyl] 4-chlorobenzoate
Database identifiers
- CAS
6976-54-1- PubChem CID
- 230146
- DTXSID
DTXSID80282145
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
- 444
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Related reactions
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Compound notes
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