4-Cyano-3-(trifluoromethyl)phenylboronic Acid - CAS 915299-32-0
Catalog: |
BB040233 |
Product Name: |
4-Cyano-3-(trifluoromethyl)phenylboronic Acid |
CAS: |
915299-32-0 |
Synonyms: |
[4-cyano-3-(trifluoromethyl)phenyl]boronic acid; [4-cyano-3-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [4-cyano-3-(trifluoromethyl)phenyl]boronic acid |
Description: | 4-Cyano-3-(trifluoromethyl)phenylboronic Acid (CAS# 915299-32-0) is a useful research chemical. |
Molecular Weight: | 214.94 |
Molecular Formula: | C8H5F3NO2B |
Canonical SMILES: | B(C1=CC(=C(C=C1)C#N)C(F)(F)F)(O)O |
InChI: | InChI=1S/C8H5BF3NO2/c10-8(11,12)7-3-6(9(14)15)2-1-5(7)4-13/h1-3,14-15H |
InChI Key: | YBQDFMCBPJKZJZ-UHFFFAOYSA-N |
MDL: | MFCD10697412 |
LogP: | 0.25688 |
Publication Number | Title | Priority Date |
KR-20200101279-A | Organic light emitting device | 20190219 |
KR-102298596-B1 | Organic light emitting device | 20190218 |
KR-20200100530-A | Organic light emitting device | 20190218 |
WO-2020113094-A1 | Pyrrole and pyrazole compounds and methods of use thereof | 20181130 |
US-2020239433-A1 | Pyrrole and pyrazole compounds and methods of use thereof | 20181130 |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.0365431 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.0365431 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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