3-Carbamoyl-4-fluorophenylboronic Acid - CAS 874219-34-8
Catalog: |
BB038433 |
Product Name: |
3-Carbamoyl-4-fluorophenylboronic Acid |
CAS: |
874219-34-8 |
Synonyms: |
(3-carbamoyl-4-fluorophenyl)boronic acid; (3-carbamoyl-4-fluorophenyl)boronic acid |
IUPAC Name: | (3-carbamoyl-4-fluorophenyl)boronic acid |
Description: | 3-Carbamoyl-4-fluorophenylboronic Acid (CAS# 874219-34-8) is a useful research chemical. |
Molecular Weight: | 182.94 |
Molecular Formula: | C7H7FNO3B |
Canonical SMILES: | B(C1=CC(=C(C=C1)F)C(=O)N)(O)O |
InChI: | InChI=1S/C7H7BFNO3/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H2,10,11) |
InChI Key: | RNNYXSWJFLHIRC-UHFFFAOYSA-N |
Boiling Point: | 345.5 ℃ at 760 mmHg |
Density: | 1.41 g/cm3 |
MDL: | MFCD08235053 |
LogP: | -0.69530 |
Publication Number | Title | Priority Date |
US-2020055824-A1 | Wdr5-mll1 inhibitors and modulators | 20180816 |
US-10807959-B2 | WDR5-MLL1 inhibitors and modulators | 20180816 |
AU-2018328768-A1 | Inhibitors of WDR5 protein-protein binding | 20170906 |
WO-2019046944-A1 | INHIBITORS OF PROTEIN BINDING WDR5-PROTEIN | 20170906 |
CN-111372926-A | Inhibitors of WDR5 protein-protein binding | 20170906 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.0503014 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.0503014 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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