Basic information
- CAS
2225155-90-6- Standard SMILES
OB(O)c1cc(F)cc(N2CCCCC2)c1- InChIKey
KQDSZZRGSVZSJR-UHFFFAOYSA-N- Molecular formula
- C11H15BFNO2
- Average molar mass
- 223.05 g/mol
- Monoisotopic mass
- 223.117987
Names & identifiers
- Preferred name
- 3-Fluoro-5-(piperidin-1-yl)phenylboronic acid
- IUPAC
- (3-fluoro-5-piperidin-1-ylphenyl)boronic acid
- English name
- (3-fluoro-5-(piperidin-1-yl)phenyl)boronic acid
- Molecular formula
- C11H15BFNO2
- Molecular weight
- 223.05
Names & synonyms
3-Fluoro-5-(piperidin-1-yl)phenylboronic acid2225155-90-6(3-fluoro-5-(piperidin-1-yl)phenyl)boronic acid[3-fluoro-5-(piperidin-1-yl)phenyl]boronic acidMFCD24448995CS-34500CS-01782333-Fluoro-5-(piperidin-1-yl)phenylboronicacid(3-fluoro-5-piperidin-1-ylphenyl)boronic acid[3-fluoro-5-(1-piperidyl)phenyl]boronic acidH73406Boronic acid, B-[3-fluoro-5-(1-piperidinyl)phenyl]-
Database identifiers
- CAS
2225155-90-6- PubChem CID
- 133555131
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 425.4 · 425.4±55.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 7.8 · 7.80±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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