4-[(2-Ethylquinolin-4-yloxy)methyl]phenylboronic acid hydrochloride
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Basic information
- CAS
144095-45-4- Standard SMILES
CCc1cc(OCc2ccc(B(O)O)cc2)c2ccccc2n1.Cl- InChIKey
VMZDIBSRABTXNN-UHFFFAOYSA-N- Molecular formula
- C18H19BClNO3
- Average molar mass
- 343.6 g/mol
Names & identifiers
- Preferred name
- 4-[(2-Ethylquinolin-4-yloxy)methyl]phenylboronic acid hydrochloride
- IUPAC
- [4-[(2-ethylquinolin-4-yl)oxymethyl]phenyl]boronic acid;hydrochloride
Names & synonyms
SCHEMBL9137327VMZDIBSRABTXNN-UHFFFAOYSA-N4-[(2-ethylquinolin-4-yloxy)methyl]phenylboronic acid hydrochloride144095-45-4
Database identifiers
- CAS
144095-45-4- PubChem CID
- 67782827
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 360
Related reactions
7 records
Compound notes
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