5-(Cyclopentyloxy)-2-fluorophenylboronic acid
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Basic information
- CAS
1960405-25-7- Standard SMILES
OB(O)c1cc(OC2CCCC2)ccc1F- InChIKey
CSBTYGAJQRMZQE-UHFFFAOYSA-N- Molecular formula
- C11H14BFO3
- Average molar mass
- 224.04 g/mol
- Monoisotopic mass
- 224.1020026
Names & identifiers
- Preferred name
- 5-(Cyclopentyloxy)-2-fluorophenylboronic acid
- IUPAC
- (5-cyclopentyloxy-2-fluorophenyl)boronic acid
- English name
- 5-(Cyclopentyloxy)-2-fluorophenylboronic acid
- Molecular formula
- C11H14BFO3
- Molecular weight
- 224.04
Names & synonyms
5-(Cyclopentyloxy)-2-fluorophenylboronic acid1960405-25-7(5-(Cyclopentyloxy)-2-fluorophenyl)boronic acidMFCD20231435(5-cyclopentyloxy-2-fluorophenyl)boronic acid[5-(cyclopentyloxy)-2-fluorophenyl]boronic acidBS-32017CS-0178292(5-(Cyclopentyloxy)-2-fluorophenyl)boronicacid[5-(cyclopentoxy)-2-fluoro-phenyl]boronic acidBoronic acid, B-[5-(cyclopentyloxy)-2-fluorophenyl]-
Database identifiers
- CAS
1960405-25-7- PubChem CID
- 56776552
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 398.6 · 398.6±52.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 7.69 · 7.69±0.58(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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