Basic information
- CAS
68224-00-0- Standard SMILES
Cc1ccc(OCC2CO2)c(Br)c1- InChIKey
DAQKAYNUNRPQFT-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- 2-[(2-Bromo-4-methylphenoxy)methyl]oxirane
- IUPAC
- 2-[(2-bromo-4-methylphenoxy)methyl]oxirane
Names & synonyms
68224-00-02-[(2-bromo-4-methylphenoxy)methyl]oxiraneNSC338423CHEMBL1964303SCHEMBL27809496DTXSID00318995AKOS000262070AKOS017283032NSC-338423NCI60_002982
Database identifiers
- CAS
68224-00-0- PubChem CID
- 334089
- DTXSID
DTXSID00318995- ChEMBL
CHEMBL1964303- Nikkaji
- J160.931I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 21.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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