4-Propoxy-3-(trifluoromethyl)phenylboronic acid - CAS 1162257-45-5
Catalog: |
BB058021 |
Product Name: |
4-Propoxy-3-(trifluoromethyl)phenylboronic acid |
CAS: |
1162257-45-5 |
Synonyms: |
(4-Propoxy-3-(trifluoromethyl)phenyl)boronic acid; 4-PROPOXY-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID; [4-propoxy-3-(trifluoromethyl)phenyl]boronic acid; (4-Propoxy-3-(trifluoromethyl)phenyl)boronicacid |
IUPAC Name: | [4-propoxy-3-(trifluoromethyl)phenyl]boronic acid |
Description: | 4-Propoxy-3-(trifluoromethyl)phenylboronic acid |
Molecular Weight: | 248.01 |
Molecular Formula: | C10H12BF3O3 |
Canonical SMILES: | B(C1=CC(=C(C=C1)OCCC)C(F)(F)F)(O)O |
InChI: | InChI=1S/C10H12BF3O3/c1-2-5-17-9-4-3-7(11(15)16)6-8(9)10(12,13)14/h3-4,6,15-16H,2,5H2,1H3 |
InChI Key: | WXJILKLCSIMQCB-UHFFFAOYSA-N |
Complexity: | 235 |
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: | 4 |
Topological Polar Surface Area: | 49.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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