Basic information
- CAS
16034-99-4- Standard SMILES
COc1ccc(/C=C/CBr)cc1- InChIKey
XXILDBMRKXAIDA-NSCUHMNNSA-N- Molecular formula
- C10H11BrO
- Average molar mass
- 227.1 g/mol
- Monoisotopic mass
- 225.99933
Names & identifiers
- Preferred name
- Anisole, p-(3-bromopropenyl)-, (E)-
- IUPAC
- 1-[(E)-3-bromoprop-1-enyl]-4-methoxybenzene
- English name
- 3'-Bromo-trans-anethole
- Molecular formula
- C10H11BrO
- Molecular weight
- 227.1
Names & synonyms
16034-99-4(E)-1-(3-Bromoprop-1-en-1-yl)-4-methoxybenzene3'-Bromo-trans-anetholeAnisole, p-(3-bromopropenyl)-, (E)-(E)-p-(3-Bromopropenyl)anisoleBenzene, 1-(3-bromo-1-propenyl)-4-methoxy-, (E)-SCHEMBL3892666(E)-para-methoxycinnamyl bromideXXILDBMRKXAIDA-NSCUHMNNSA-N1-[(1E)-3-BROMOPROP-1-EN-1-YL]-4-METHOXYBENZENEDTXSID8012449501-[(1E)-3-Bromo-1-propen-1-yl]-4-methoxybenzene
Show more names
Benzene, 1-[(1E)-3-bromo-1-propen-1-yl]-4-methoxy-
Database identifiers
- CAS
16034-99-4- PubChem CID
- 6444720
- DTXSID
DTXSID801244950- Nikkaji
- J3.073.421A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Boiling point
- 297.8 · 297.8±20.0 °C(Predicted)
- Density
- 1.36 · 1.3600 (rough estimate)
- refractive index
- 1.531 · 1.5310 (estimate)
Chemistry & industry
Suppliers1 total
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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