2,6-Dichloro-3-fluorobenzoic acid

C₇H₃Cl₂FO₂CAS 178813-78-0209.00 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₃Cl₂FO₂
Molar mass: 209.00 g/mol
Exact mass: 207.9494 Da
logP: 2.83Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

178813-78-0

SMILES

O=C(O)c1c(Cl)ccc(F)c1Cl

InChIKey

NMFMJSSFYLXQAO-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2FO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,(H,11,12)

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 2,6-dichloro-3-fluoro-
NSC 190306
2,6-Dichloro-5-fluorobenzoic acid

Work with 2,6-Dichloro-3-fluorobenzoic 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

2,3,6-Trichlorobenzoic acid50-31-771 % similar 2-Chloro-6-fluorobenzoic acid434-75-365 % similar 1-(2,6-Dichloro-3-fluorophenyl)ethanone290835-85-761 % similar 2-Chloro-6-fluoro-3-methylbenzoic acid32890-89-458 % similar 2,6-Dichlorobenzoic acid50-30-656 % similar 2-Chloro-3-fluorobenzoic acid102940-86-356 % similar 2,6-Difluorobenzoic acid385-00-255 % similar 3,6-Dichlorosalicylic acid3401-80-754 % similar

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

Elsewhere

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