2,6-Difluoroanilino(oxo)acetic acid

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Product Information

Molecular Formula:
C8H5F2NO3
Molecular Weight:
201.13
Description
2,6-Difluoroanilino(oxo)acetic acid is a key intermediate in the synthesis of various biomedically important compounds. It primarily aids in the production of pharmaceuticals aimed at treating neurodegenerative diseases and certain types of cancer.
Synonyms
[(2,6-Difluorophenyl)amino](oxo)acetic acid,[(2,6-Difluorophenyl)carbamoyl]formic acid
IUPAC Name
2-(2,6-difluoroanilino)-2-oxoacetic acid
Canonical SMILES
C1=CC(=C(C(=C1)F)NC(=O)C(=O)O)F
InChI
InChI=1S/C8H5F2NO3/c9-4-2-1-3-5(10)6(4)11-7(12)8(13)14/h1-3H,(H,11,12)(H,13,14)
InChI Key
XKMPHIMGYLKQKV-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%

Computed Properties

XLogP3
0.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
201.02374935 g/mol
Monoisotopic Mass
201.02374935 g/mol
Topological Polar Surface Area
66.4Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
237
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
WO-2021062035-A1 Luminescent materials and methods thereof 2019-09-27
US-2021024495-A1 Novel pyridazines 2019-07-22
WO-2021013830-A1 N-methyl, n-(6-(methoxy)pyridazin-3-yl) amine derivatives as autotaxin (atx) modulators for the treatment of inflammatory airway or fibrotic diseases 2019-07-22
WO-2021013833-A1 N-methyl, n-(6-(methoxy)pyridazin-3-yl) amine derivatives as autotaxin (atx) modulators for the treatment of inflammatory airway or fibrotic diseases 2019-07-22
US-2020283396-A1 Caspase inhibitors and methods of use thereof 2019-03-07
The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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