Basic information
- Standard SMILES
CC1OC(=O)c2cc(Br)ccc21- InChIKey
BZPQNANVZDTLMK-UHFFFAOYSA-N- Molecular formula
- C9H7BrO2
- Average molar mass
- 227.05 g/mol
Names & identifiers
- Preferred name
- 1(3H)-Isobenzofuranone, 6-bromo-3-methyl-
- IUPAC
- 6-bromo-3-methyl-3H-2-benzofuran-1-one
Names & synonyms
6-bromo-3-methylphtalide1(3H)-Isobenzofuranone, 6-bromo-3-methyl-SCHEMBL6669536BZPQNANVZDTLMK-UHFFFAOYSA-N6-bromo-3-methyl-3H-isobenzofuran-1-one
Database identifiers
- PubChem CID
- 487779
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 205
Related reactions
2 records
Compound notes
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