[(4-Bromo-3-methylbutoxy)methyl]benzene
Basic information
- CAS
87974-13-8- Standard SMILES
CC(CBr)CCOCc1ccccc1- InChIKey
JBUXPZQPAZDINP-UHFFFAOYSA-N- Molecular formula
- C12H17BrO
- Average molar mass
- 257.17 g/mol
- Monoisotopic mass
- 256.04628
Names & identifiers
- Preferred name
- [(4-Bromo-3-methylbutoxy)methyl]benzene
- IUPAC
- (4-bromo-3-methylbutoxy)methylbenzene
Names & synonyms
[(4-bromo-3-methylbutoxy)methyl]benzene87974-13-8(4-bromo-3-methylbutoxy)methylbenzeneSCHEMBL9841232DTXSID10601628EN300-673872
Database identifiers
- CAS
87974-13-8- PubChem CID
- 19979151
- DTXSID
DTXSID10601628
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 132
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Compound notes
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