4-Fluoro-3-methoxy-5-(trifluoromethyl)phenylboronic acid - CAS 1701449-45-7
Catalog: |
BB065037 |
Product Name: |
4-Fluoro-3-methoxy-5-(trifluoromethyl)phenylboronic acid |
CAS: |
1701449-45-7 |
Synonyms: |
4-Fluoro-3-methoxy-5-(trifluoromethyl)phenylboronic acid; [4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]boronic acid; 4-Fluoro-3-methoxy-5-(trifluoromethyl)phenylboronicacid |
IUPAC Name: | [4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]boronic acid |
Description: | 4-Fluoro-3-methoxy-5-(trifluoromethyl)phenylboronic acid |
Molecular Weight: | 237.94 |
Molecular Formula: | C8H7BF4O3 |
Canonical SMILES: | B(C1=CC(=C(C(=C1)OC)F)C(F)(F)F)(O)O |
InChI: | InChI=1S/C8H7BF4O3/c1-16-6-3-4(9(14)15)2-5(7(6)10)8(11,12)13/h2-3,14-15H,1H3 |
InChI Key: | PTPKNQLKGQLZKZ-UHFFFAOYSA-N |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.0424369 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.0424369 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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