Basic information
- CAS
98991-88-9- Standard SMILES
CC(C)(C)C(Br)C(=O)OCc1coc(Cc2ccccc2)c1- InChIKey
QODTZVMEMDPQSF-UHFFFAOYSA-N- Molecular formula
- C18H21BrO3
- Average molar mass
- 365.3 g/mol
- Monoisotopic mass
- 364.06741
Names & identifiers
- Preferred name
- (5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate
- IUPAC
- (5-benzylfuran-3-yl)methyl 2-bromo-3,3-dimethylbutanoate
Names & synonyms
98991-88-9(5-(Phenylmethyl)furan-3-yl)methyl 2-bromo-3,3-dimethylbutanoate(5-benzylfuran-3-yl)methyl 2-bromo-3,3-dimethylbutanoateDTXSID50912947
Database identifiers
- CAS
98991-88-9- PubChem CID
- 176830
- DTXSID
DTXSID50912947
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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