4'-Pentyl-3-fluorobiphenyl-4-boronic acid - CAS 163129-14-4
Catalog: |
BB053720 |
Product Name: |
4'-Pentyl-3-fluorobiphenyl-4-boronic acid |
CAS: |
163129-14-4 |
Synonyms: |
4''-PENTYL-3-FLUOROBIPHENYL-4-BORONIC ACID |
IUPAC Name: | [2-fluoro-4-(4-pentylphenyl)phenyl]boronic acid |
Molecular Weight: | 286.15 |
Molecular Formula: | C17H20BFO2 |
Canonical SMILES: | B(C1=C(C=C(C=C1)C2=CC=C(C=C2)CCCCC)F)(O)O |
InChI: | InChI=1S/C17H20BFO2/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(18(20)21)17(19)12-15/h6-12,20-21H,2-5H2,1H3 |
InChI Key: | CCBMYLLGXOKXFX-UHFFFAOYSA-N |
Boiling Point: | 436.1±55.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.1540382 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.1540382 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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