Basic information
- CAS
117738-87-1- Standard SMILES
CCCC1(COC(=O)c2ccc(Br)c(Cl)c2)COC1- InChIKey
XXNCVCGAPZAWNF-UHFFFAOYSA-N- Molecular formula
- C14H16BrClO3
- Average molar mass
- 347.63 g/mol
- Monoisotopic mass
- 345.99713
Names & identifiers
- Preferred name
- (3-Propyl-3-oxetanyl)methyl 4-bromo-3-chlorobenzoate
- IUPAC
- (3-propyloxetan-3-yl)methyl 4-bromo-3-chlorobenzoate
Names & synonyms
DTXSID001217969(3-Propyl-3-oxetanyl)methyl 4-bromo-3-chlorobenzoate(3-Propyloxetan-3-yl)methyl 4-bromo-3-chlorobenzoate117738-87-1
Database identifiers
- CAS
117738-87-1- PubChem CID
- 85572196
- DTXSID
DTXSID001217969
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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