Basic information
- CAS
5434-51-5- Standard SMILES
CC(=O)OCc1cc2c(cc1Br)OCO2- InChIKey
NFYJNQMQCMHKGQ-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)methyl acetate
- IUPAC
- (6-bromo-1,3-benzodioxol-5-yl)methyl acetate
- English name
- (6-bromobenzo[1,3]dioxol-5-yl)methyl acetate
- Molecular formula
- C10H9BrO4
- Molecular weight
- 273.08
Names & synonyms
5434-51-5(6-bromo-1,3-benzodioxol-5-yl)methyl acetateNSC15656(6-BROMOBENZO[1,3]DIOXOL-5-YL)METHYL ACETATEDTXSID70280130NSC 15656NSC-15656(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)METHYL ACETATE1,3-Benzodioxole-5-methanol, 6-bromo-, 5-acetate
Database identifiers
- CAS
5434-51-5- PubChem CID
- 225830
- DTXSID
DTXSID70280130
Properties
Computed structural properties
- XLogP
- 2.1
- 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
Physicochemical properties
- Melting point
- 81 · 81-82 °C
- Boiling point
- 325.3 · 325.3±42.0 °C(Predicted)
- Density
- 1.61 · 1.610±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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