5-Carboxy-2-fluorophenylboronic Acid - CAS 874219-59-7
Catalog: |
BB038436 |
Product Name: |
5-Carboxy-2-fluorophenylboronic Acid |
CAS: |
874219-59-7 |
Synonyms: |
3-borono-4-fluorobenzoic acid; 3-borono-4-fluorobenzoic acid |
IUPAC Name: | 3-borono-4-fluorobenzoic acid |
Description: | 5-Carboxy-2-fluorophenylboronic Acid (CAS# 874219-59-7) is a useful research chemical. |
Molecular Weight: | 183.93 |
Molecular Formula: | C7H6FO4B |
Canonical SMILES: | B(C1=C(C=CC(=C1)C(=O)O)F)(O)O |
InChI: | InChI=1S/C7H6BFO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H,10,11) |
InChI Key: | YLZPFWJYAFZZHF-UHFFFAOYSA-N |
Boiling Point: | 432.896 °C at 760 mmHg |
Density: | 1.498 g/cm3 |
MDL: | MFCD08436065 |
LogP: | -0.79630 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112679535-A | Small molecule PAD4 inhibitor and preparation method and application thereof | 20210106 |
CN-111424429-A | Metal sulfide porous framework material, and preparation method and application thereof | 20200430 |
US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
WO-2021146424-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
CN-111146496-A | Polymer electrolyte and lithium ion battery containing same | 20191223 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.034317 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.034317 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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