Basic information
- Standard SMILES
COC(=O)CC12CC3CC(CC(Br)(C3)C1)C2- InChIKey
FFYYJJRMGKTOQM-UHFFFAOYSA-N- Molecular formula
- C13H19BrO2
- Average molar mass
- 287.19 g/mol
Names & identifiers
- Preferred name
- Methyl 3-bromo-1-adamantaneacetate
- IUPAC
- methyl 2-(3-bromo-1-adamantyl)acetate
Names & synonyms
Methyl 3-bromo-1-adamantaneacetateMethyl 3-bromoadamantaneacetateSCHEMBL8073717Methyl (3-bromo-1-adamantyl)acetate #2-(-3-bromo-1-adamantyl) acetic acid methyl esterTricyclo[3.3.1.1(3,7)-]decane-1-carboxylic acid, 3-bromo-5-methyl-, methyl ester
Database identifiers
- PubChem CID
- 610084
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 312
Related reactions
2 records
Compound notes
Loading…