2-Oxocyclohexyl 3-(5-bromo-2-methoxyphenyl)prop-2-enoate
Basic information
- CAS
1009553-93-8- Standard SMILES
COc1ccc(Br)cc1C=CC(=O)OC1CCCCC1=O- InChIKey
VSOWWKHHVUCDOW-UHFFFAOYSA-N- Molecular formula
- C16H17BrO4
- Average molar mass
- 353.21 g/mol
- Monoisotopic mass
- 352.03102
Names & identifiers
- Preferred name
- 2-Oxocyclohexyl 3-(5-bromo-2-methoxyphenyl)prop-2-enoate
- IUPAC
- (2-oxocyclohexyl) 3-(5-bromo-2-methoxyphenyl)prop-2-enoate
Names & synonyms
DTXSID301200280AKOS0335962982-Oxocyclohexyl 3-(5-bromo-2-methoxyphenyl)-2-propenoate2-oxocyclohexyl 3-(5-bromo-2-methoxyphenyl)prop-2-enoate1009553-93-8
Database identifiers
- CAS
1009553-93-8- PubChem CID
- 72098948
- DTXSID
DTXSID301200280
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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