Potassium [4-(Benzyloxy)phenyl]trifluoroborate
Product Information
Molecular Formula
C13H11F3OBK
Molecular Weight
290.13
Description
Potassium [4-(Benzyloxy)phenyl]trifluoroborate (CAS# 850623-47-1) is a useful research chemical.
Synonyms
potassium;trifluoro-(4-phenylmethoxyphenyl)boranuide; potassium;trifluoro-(4-phenylmethoxyphenyl)boranuide
IUPAC Name
potassium;trifluoro-(4-phenylmethoxyphenyl)boranuide
SMILES
[B-](C1=CC=C(C=C1)OCC2=CC=CC=C2)(F)(F)F.[K+]
InChI
InChI=1S/C13H11BF3O.K/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11;/h1-9H,10H2;/q-1;+1
InChI Key
PMDBNNXIBAIJMQ-UHFFFAOYSA-N
Melting Point
232-236 °C
Purity
95 %
LogP
3.32000
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
290.0492111 g/mol
Monoisotopic Mass
290.0492111 g/mol
Topological Polar Surface Area
9.2Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
249
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-3535244-A1 | Spiro-compounds as s1p modulators | 2016-11-02 |
| US-2020055817-A1 | Spiro-compounds as sip modulators | 2016-11-02 |
| WO-2018083171-A1 | Spiro-compounds as s1p modulators | 2016-11-02 |
| AU-2016314973-A1 | Fused heterocyclic compounds as S1P modulators | 2015-08-28 |
| CA-2996741-A1 | Fused heterocyclic compounds as s1p modulators | 2015-08-28 |
| EP-3341369-A1 | Fused heterocyclic compounds as s1p modulators | 2015-08-28 |
| JP-2018525429-A | Fused heterocyclic compounds as S1P regulators | 2015-08-28 |
| TW-201720822-A | Fused heterocyclic compound as S1P regulator | 2015-08-28 |
| US-10556907-B2 | Fused heterocyclic compounds as S1P modulators | 2015-08-28 |
| US-2017057966-A1 | Fused heterocyclic compounds as s1p modulators | 2015-08-28 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 3779 | 1976-02-01 | Detrimental effect of in vitro salivary contamination of acid-etched enamel | Proceedings of the Finnish Dental Society. Suomen Hammaslaakariseuran toimituksia |
