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
Canonical 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 ℃ at 760 mmHg
Melting Point
112-116 ℃
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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