3-Carboxy-5-fluorophenylboronic Acid
Product Information
Molecular Formula
C7H6FO4B
Molecular Weight
183.93
Description
3-Carboxy-5-fluorophenylboronic Acid (CAS# 871329-84-9) is a useful research chemical.
Synonyms
3-borono-5-fluorobenzoic acid; 3-borono-5-fluorobenzoic acid
IUPAC Name
3-borono-5-fluorobenzoic acid
SMILES
B(C1=CC(=CC(=C1)F)C(=O)O)(O)O
InChI
InChI=1S/C7H6BFO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key
APHPXZJIUTVQNC-UHFFFAOYSA-N
Boiling Point
434 °C at 760 mmHg
Melting Point
112-116 °C
Purity
≥ 95 %
Density
1.49 g/cm3
Appearance
White solid
LogP
-0.79630
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
184.0343170 g/mol
Monoisotopic Mass
184.0343170 g/mol
Topological Polar Surface Area
77.8Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
199
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-112679535-A | Small molecule PAD4 inhibitor and preparation method and application thereof | 2021-01-06 |
| CN-111146496-A | Polymer electrolyte and lithium ion battery containing same | 2019-12-23 |
| CN-111162313-A | Polymer electrolyte and lithium ion battery | 2019-12-23 |
| CN-111146496-B | Polymer electrolyte and lithium ion battery containing same | 2019-12-23 |
| EP-3636637-A1 | Inhibiting fatty acid synthase (fasn) | 2018-10-10 |
| US-2020115368-A1 | Inhibiting fatty acid synthase (fasn) | 2018-10-10 |
| WO-2020077071-A1 | Inhibiting fatty acid synthase (fasn) | 2018-10-10 |
| TW-202026283-A | Inhibiting fatty acid synthase (fasn) | 2018-10-10 |
| US-10875848-B2 | Inhibiting fatty acid synthase (FASN) | 2018-10-10 |
| US-2021024508-A1 | Inhibiting fatty acid synthase (fasn) | 2018-10-10 |
