Basic information
- CAS
6976-51-8- Standard SMILES
CCCCOC(c1ccc2c(c1)OCO2)C(C)Br- InChIKey
NCEMSXOKWQLAJE-UHFFFAOYSA-N- Molecular formula
- C14H19BrO3
- Average molar mass
- 315.2 g/mol
- Monoisotopic mass
- 314.05176
Names & identifiers
- Preferred name
- 5-(2-Bromo-1-butoxypropyl)-1,3-benzodioxole
- IUPAC
- 5-(2-bromo-1-butoxypropyl)-1,3-benzodioxole
- English name
- 5-(2-bromo-1-butoxy-propyl)benzo[1,3]dioxole
- Molecular formula
- C14H19BrO3
- Molecular weight
- 0
Names & synonyms
6976-51-85-(2-bromo-1-butoxypropyl)-1,3-benzodioxoleNSC24720DTXSID40282141NSC-247205-(2-BROMO-1-BUTOXYPROPYL)-2H-1,3-BENZODIOXOLE5-(2-bromo-1-butoxy-propyl)benzo[1,3]dioxole
Database identifiers
- CAS
6976-51-8- PubChem CID
- 230141
- DTXSID
DTXSID40282141
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
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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