5-Chloro-2-(trifluoromethyl)phenylboronic Acid - CAS 1195945-67-5
Catalog: |
BB004532 |
Product Name: |
5-Chloro-2-(trifluoromethyl)phenylboronic Acid |
CAS: |
1195945-67-5 |
Synonyms: |
[5-chloro-2-(trifluoromethyl)phenyl]boronic acid; [5-chloro-2-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [5-chloro-2-(trifluoromethyl)phenyl]boronic acid |
Description: | 5-Chloro-2-(trifluoromethyl)phenylboronic Acid (CAS# 1195945-67-5) is a useful research chemical. |
Molecular Weight: | 224.37 |
Molecular Formula: | C7H5ClF3O2B |
Canonical SMILES: | B(C1=C(C=CC(=C1)Cl)C(F)(F)F)(O)O |
InChI: | InChI=1S/C7H5BClF3O2/c9-4-1-2-5(7(10,11)12)6(3-4)8(13)14/h1-3,13-14H |
InChI Key: | ILPIBSAMAZDGRC-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 ℃ |
MDL: | MFCD08274471 |
LogP: | 1.03860 |
Publication Number | Title | Priority Date |
JP-2018170236-A | Nonaqueous electrolyte for batteries and lithium secondary battery | 20170330 |
JP-6884020-B2 | Non-aqueous electrolyte for batteries and lithium secondary battery | 20170330 |
JP-2016095965-A | Non-aqueous electrolyte, power storage device including the same, and power storage device including the power storage device | 20141113 |
AU-2015253232-A1 | Substituted 4-phenylpiperidines, their preparation and use | 20140430 |
CA-2947174-A1 | Substituted 4-phenylpiperidines, their preparaiton and use | 20140430 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.0023217 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.0023217 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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