Basic information
- CAS
279262-57-6- Standard SMILES
CCCOCCOc1ccc(Br)c(C)c1- InChIKey
MNPQGFPOFBUSGS-UHFFFAOYSA-N- Molecular formula
- C12H17BrO2
- Average molar mass
- 273.17 g/mol
- Monoisotopic mass
- 272.04119188
Names & identifiers
- Preferred name
- 4-Bromo-3-methyl-1-(2-propoxyethoxy)benzene
- IUPAC
- 1-bromo-2-methyl-4-(2-propoxyethoxy)benzene
Names & synonyms
4-bromo-3-methyl-1-(2-propoxyethoxy)benzeneSCHEMBL7931164MNPQGFPOFBUSGS-UHFFFAOYSA-NDTXSID201263544279262-57-61-bromo-2-methyl-4-(2-propoxyethoxy)benzene
Database identifiers
- CAS
279262-57-6- PubChem CID
- 21995763
- DTXSID
DTXSID201263544
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 164
Related reactions
2 records
Compound notes
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