Basic information
- Standard SMILES
O=c1oc(CBr)c(-c2cccc(F)c2)c2ccccc12- InChIKey
YZRZHNNCDJSGKY-UHFFFAOYSA-N- Molecular formula
- C16H10BrFO2
- Average molar mass
- 333.15 g/mol
Names & identifiers
- Preferred name
- 3-(Bromomethyl)-4-(3-fluorophenyl)-1H-isochromen-1-one
- IUPAC
- 3-(bromomethyl)-4-(3-fluorophenyl)isochromen-1-one
Names & synonyms
SCHEMBL16783603YZRZHNNCDJSGKY-UHFFFAOYSA-N3-(Bromomethyl)-4-(3-fluorophenyl)-1H-isochromen-1-one
Database identifiers
- PubChem CID
- 118131237
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Related reactions
3 records
Compound notes
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