Basic information
- Standard SMILES
O=c1oc(CCBr)c(Cl)c2ccccc12- InChIKey
RFYKBEZNVDSTJQ-UHFFFAOYSA-N- Molecular formula
- C11H8BrClO2
- Average molar mass
- 287.53 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-3-[2-bromoethyl]-isocoumarin
- IUPAC
- 3-(2-bromoethyl)-4-chloroisochromen-1-one
Names & synonyms
4-chloro-3-[2-bromoethyl]-isocoumarin113251-12-0SCHEMBL7326450RFYKBEZNVDSTJQ-UHFFFAOYSA-N3-(bromoethyl)-4-chloroisocoumarinDB-305703
Database identifiers
- PubChem CID
- 21471138
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 301
Related reactions
3 records
Compound notes
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