6-Bromo-1,3-benzodioxol-5-yl propanoate
Basic information
- CAS
6316-58-1- Standard SMILES
CCC(=O)Oc1cc2c(cc1Br)OCO2- InChIKey
YGIOYZSVFRBZQH-UHFFFAOYSA-N- Molecular formula
- C10H9BrO4
- Average molar mass
- 273.08 g/mol
- Monoisotopic mass
- 271.96842
Names & identifiers
- Preferred name
- 6-Bromo-1,3-benzodioxol-5-yl propanoate
- IUPAC
- (6-bromo-1,3-benzodioxol-5-yl) propanoate
Names & synonyms
6-bromo-1,3-benzodioxol-5-yl propanoate6316-58-1NSC22562DTXSID80281698NSC-22562(6-bromo-1,3-benzodioxol-5-yl)propanoate6-BROMO-2H-1,3-BENZODIOXOL-5-YL PROPANOATE
Database identifiers
- CAS
6316-58-1- PubChem CID
- 229137
- DTXSID
DTXSID80281698
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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