Basic information
- Standard SMILES
COC(=O)C1(N2Cc3ccc(Br)cc3C2=O)CCCC1- InChIKey
RAGFZSMRDXOWNV-UHFFFAOYSA-N- Molecular formula
- C15H16BrNO3
- Average molar mass
- 338.2 g/mol
- Monoisotopic mass
- 337.03136
Names & identifiers
- Preferred name
- Methyl 1-(6-bromo-1-oxoisoindolin-2-yl)cyclopentanecarboxylate
- IUPAC
- methyl 1-(5-bromo-3-oxo-1H-isoindol-2-yl)cyclopentane-1-carboxylate
Names & synonyms
SCHEMBL2195956RAGFZSMRDXOWNV-UHFFFAOYSA-NMethyl 1-(6-bromo-1-oxoisoindolin-2-yl)cyclopentanecarboxylate
Database identifiers
- PubChem CID
- 67313241
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 419
Related reactions
3 records
Compound notes
Loading…