(3-Fluoro-5-(pyrrolidin-1-yl)phenyl)boronic acid
Basic information
- CAS
1217500-96-3- Standard SMILES
OB(O)c1cc(F)cc(N2CCCC2)c1- InChIKey
WOSGIIGBIQODBX-UHFFFAOYSA-N- Molecular formula
- C10H13BFNO2
- Average molar mass
- 209.03 g/mol
- Monoisotopic mass
- 209.102337
Names & identifiers
- Preferred name
- (3-Fluoro-5-(pyrrolidin-1-yl)phenyl)boronic acid
- IUPAC
- (3-fluoro-5-pyrrolidin-1-ylphenyl)boronic acid
- English name
- 3-Fluoro-5-pyrrolidinophenylboronic acid
- Molecular formula
- C10H13BFNO2
- Molecular weight
- 209.03
Names & synonyms
1217500-96-33-Fluoro-5-pyrrolidinophenylboronic acid(3-Fluoro-5-(pyrrolidin-1-yl)phenyl)boronic acidMFCD12546542Boronic acid, B-[3-fluoro-5-(1-pyrrolidinyl)phenyl]-(3-fluoro-5-pyrrolidin-1-ylphenyl)boronic acid[3-Fluoro-5-(pyrrolidin-1-yl)phenyl]boronic acid(3-Fluoro-5-(pyrrolidin-1-yl)phenyl)boronicacidSCHEMBL29956478DTXSID90675221AKOS015853135AS-69072
Show more names
DB-348217CS-0060802I12203(3-fluoro-5-pyrrolidin-1-yl-phenyl)boronic acidF216212
Database identifiers
- CAS
1217500-96-3- PubChem CID
- 46739628
- DTXSID
DTXSID90675221
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
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Related reactions
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Compound notes
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