2-Cyano-4-(trifluoromethyl)phenylboronic Acid - CAS 1218790-84-1
Catalog: |
BB005281 |
Product Name: |
2-Cyano-4-(trifluoromethyl)phenylboronic Acid |
CAS: |
1218790-84-1 |
Synonyms: |
[2-cyano-4-(trifluoromethyl)phenyl]boronic acid; [2-cyano-4-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [2-cyano-4-(trifluoromethyl)phenyl]boronic acid |
Description: | 2-Cyano-4-(trifluoromethyl)phenylboronic Acid (CAS# 1218790-84-1) is a useful research chemical. |
Molecular Weight: | 214.94 |
Molecular Formula: | C8H5F3NO2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C(F)(F)F)C#N)(O)O |
InChI: | InChI=1S/C8H5BF3NO2/c10-8(11,12)6-1-2-7(9(14)15)5(3-6)4-13/h1-3,14-15H |
InChI Key: | DELAZGQTKSRLPA-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 0.25688 |
Publication Number | Title | Priority Date |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
EP-2788332-A1 | Bicyclic aryl and heteroaryl sodium channel inhibitors | 20111207 |
US-2013150339-A1 | Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors | 20111207 |
US-9012443-B2 | Bicyclic aryl and heteroaryl sodium channel inhibitors | 20111207 |
WO-2013086229-A1 | Bicyclic aryl and heteroaryl sodium channel inhibitors | 20111207 |
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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