Basic information
- Standard SMILES
CC(OCc1ccccc1)C(Cl)B(O)O- InChIKey
ROOOGXSHQKWRMK-UHFFFAOYSA-N- Molecular formula
- C10H14BClO3
- Average molar mass
- 228.48 g/mol
Names & identifiers
- Preferred name
- (1-Chloro-2-phenylmethoxypropyl)boronic acid
- IUPAC
- (1-chloro-2-phenylmethoxypropyl)boronic acid
Names & synonyms
SCHEMBL5838860
Database identifiers
- PubChem CID
- 21922435
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 174
Related reactions
1 records
Compound notes
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