2-Isopropoxy-4-(trifluoromethyl)phenylboronic Acid - CAS 1072952-21-6
Catalog: |
BB002041 |
Product Name: |
2-Isopropoxy-4-(trifluoromethyl)phenylboronic Acid |
CAS: |
1072952-21-6 |
Synonyms: |
[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]boronic acid; [2-propan-2-yloxy-4-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [2-propan-2-yloxy-4-(trifluoromethyl)phenyl]boronic acid |
Description: | 2-Isopropoxy-4-(trifluoromethyl)phenylboronic Acid (CAS# 1072952-21-6) is a useful research chemical. |
Molecular Weight: | 248.01 |
Molecular Formula: | C10H12F3O3B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C(F)(F)F)OC(C)C)(O)O |
InChI: | InChI=1S/C10H12BF3O3/c1-6(2)17-9-5-7(10(12,13)14)3-4-8(9)11(15)16/h3-6,15-16H,1-2H3 |
InChI Key: | IGJULKZGKYXWAR-UHFFFAOYSA-N |
MDL: | MFCD04972374 |
LogP: | 1.17240 |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.0831589 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.0831589 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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