3-Isopropoxy-4-(trifluoromethoxy)phenylboronic acid - CAS 1793003-54-9
Catalog: |
BB063847 |
Product Name: |
3-Isopropoxy-4-(trifluoromethoxy)phenylboronic acid |
CAS: |
1793003-54-9 |
Synonyms: |
3-Isopropoxy-4-(trifluoromethoxy)phenylboronic acid; [3-propan-2-yloxy-4-(trifluoromethoxy)phenyl]boronic acid; 3-Isopropoxy-4-(trifluoromethoxy)phenylboronicacid |
IUPAC Name: | [3-propan-2-yloxy-4-(trifluoromethoxy)phenyl]boronic acid |
Description: | 3-Isopropoxy-4-(trifluoromethoxy)phenylboronic acid |
Molecular Weight: | 264.01 |
Molecular Formula: | C10H12BF3O4 |
Canonical SMILES: | B(C1=CC(=C(C=C1)OC(F)(F)F)OC(C)C)(O)O |
InChI: | InChI=1S/C10H12BF3O4/c1-6(2)17-9-5-7(11(15)16)3-4-8(9)18-10(12,13)14/h3-6,15-16H,1-2H3 |
InChI Key: | GMSQFZIIBMNSRQ-UHFFFAOYSA-N |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.0780735 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.0780735 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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