(7-Chlorodibenzo[b,d]furan-1-yl)boronic acid
Basic information
- CAS
2173555-53-6- Standard SMILES
OB(O)c1cccc2oc3cc(Cl)ccc3c12- InChIKey
CNJMGYWSOGWUFO-UHFFFAOYSA-N- Molecular formula
- C12H8BClO3
- Average molar mass
- 246.45 g/mol
Names & identifiers
- Preferred name
- (7-Chlorodibenzo[b,d]furan-1-yl)boronic acid
- IUPAC
- (7-chlorodibenzofuran-1-yl)boronic acid
- English name
- (7-chlorodibenzo[b,d]furan-1-yl)boronic acid
- Molecular formula
- C12H8BClO3
- Molecular weight
- 246.45
Names & synonyms
(7-Chlorodibenzo[b,d]furan-1-yl)boronic acid2173555-53-6SCHEMBL19802990SCHEMBL31286367B-(7-Chloro-1-dibenzofuranyl)boronic acidBoronic acid, B-(7-chloro-1-dibenzofuranyl)-
Database identifiers
- CAS
2173555-53-6
Properties
Computed structural properties
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 467.8 · 467.8±48.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 7.87 · 7.87±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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