Basic information
- Standard SMILES
Clc1c(CBr)sc2ccccc12- InChIKey
OWYVDLOGYIFMCM-UHFFFAOYSA-N- Molecular formula
- C9H6BrClS
- Average molar mass
- 261.57 g/mol
- Monoisotopic mass
- 259.90621
Names & identifiers
- Preferred name
- 2-(Bromomethyl)-3-chloro-1-benzothiophene
- IUPAC
- 2-(bromomethyl)-3-chloro-1-benzothiophene
Names & synonyms
2-(bromomethyl)-3-chloro-1-benzothiophene124168-56-52-(bromomethyl)-3-chlorobenzo[b]thiopheneSCHEMBL844195OWYVDLOGYIFMCM-UHFFFAOYSA-NSBB102456AKOS0175480062-bromomethyl-3-chloro-benzo[b]thiopheneDA-13797AA-516/25012125
Database identifiers
- PubChem CID
- 816708
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Related reactions
9 records
Compound notes
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