2,6-Difluoroanilino(oxo)acetic acid

Inquiry

Molecular Formula:

C8H5F2NO3

Molecular Weight:

201.13

CAS Number:

1018295-42-5

Catalog Number:

1018295-42-5

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

201.02374935 g/mol

Monoisotopic Mass

201.02374935 g/mol

Topological Polar Surface Area

66.4Å²

Heavy Atom Count

Formal Charge

Complexity

237

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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2,6-Difluoroanilino(oxo)acetic acid

Product Information

Computed Properties

Patents

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