2,6-Difluoro-4-methoxyphenylacetic acid

C₉H₈F₂O₃CAS 886498-98-2202.16 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₉H₈F₂O₃
Molar mass: 202.16 g/mol
Exact mass: 202.0442 Da
logP: 1.60Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

886498-98-2

SMILES

COC1=CC(=C(C(=C1)F)CC(=O)O)F

InChIKey

KXWRAINJKJTUDG-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F2O3/c1-14-5-2-7(10)6(4-9(12)13)8(11)3-5/h2-3H,4H2,1H3,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-(2,6-Difluoro-4-methoxyphenyl)acetic acid

Work with 2,6-Difluoro-4-methoxyphenylacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(2-Fluoro-4-methoxyphenyl)acetic acid883531-28-067 % similar (3,5-Dimethoxyphenyl)acetic acid4670-10-466 % similar 2,4,6-Trifluorobenzeneacetic acid209991-63-963 % similar 2-(4-Bromo-2,6-difluorophenyl)acetic acid537033-54-859 % similar (4-Methoxyphenyl)acetic acid104-01-857 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-256 % similar 2,6-Difluorobenzeneacetic acid85068-28-656 % similar 2,6-Difluoro-4-methoxybenzoic acid123843-65-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(Difluoromethoxy)-3-methoxybenzaldehyde162401-70-9

Elsewhere

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