Basic information
- Standard SMILES
CC(C1CC1)N1Cc2cc(Br)cc(Cl)c2C1=O- InChIKey
ASIQKTWJWGLNOF-UHFFFAOYSA-N- Molecular formula
- C13H13BrClNO
- Average molar mass
- 314.6 g/mol
Names & identifiers
- Preferred name
- 5-bromo-7-chloro-2-(1-cyclopropylethyl)-3H-isoindol-1-one
- IUPAC
- 5-bromo-7-chloro-2-(1-cyclopropylethyl)-3H-isoindol-1-one
Names & synonyms
SCHEMBL21929763SCHEMBL29444701
Database identifiers
- PubChem CID
- 77200860
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Related reactions
1 records
Compound notes
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