3,5-Diformyl-2-fluorophenylboronic acid - CAS 870778-85-1
Catalog: |
BB038244 |
Product Name: |
3,5-Diformyl-2-fluorophenylboronic acid |
CAS: |
870778-85-1 |
Synonyms: |
(2-fluoro-3,5-diformylphenyl)boronic acid |
IUPAC Name: | (2-fluoro-3,5-diformylphenyl)boronic acid |
Description: | 3,5-Diformyl-2-fluorophenylboronic acid (CAS# 870778-85-1) is a useful research chemical. |
Molecular Weight: | 195.94 |
Molecular Formula: | C8H6BFO4 |
Canonical SMILES: | B(C1=CC(=CC(=C1F)C=O)C=O)(O)O |
InChI: | InChI=1S/C8H6BFO4/c10-8-6(4-12)1-5(3-11)2-7(8)9(13)14/h1-4,13-14H |
InChI Key: | KKXARFPYUGQNNK-UHFFFAOYSA-N |
Boiling Point: | 435.4 °C at 760 mmHg |
Melting Point: | 235-240 °C (lit.) |
Purity: | 97 % |
Density: | 1.41 g/cm3 |
LogP: | -0.86950 |
Publication Number | Title | Priority Date |
US-2012149693-A1 | Therapeutic compounds | 20090505 |
US-2015315127-A1 | Therapeutic compounds | 20090505 |
US-9024071-B2 | Therapeutic compounds | 20090505 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.034317 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.034317 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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