2,6-Dichloro-3-fluorobenzoic acid

C7H3Cl2FO2CAS 178813-78-0209.00 g/mol

Open in Covalent MOL file
OHOClFCl
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

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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-Chloro-3,6-difluorobenzoic acid287172-74-177 % similar 2,3,6-Trichlorobenzoic acid50-31-771 % similar 3-Chloro-2,6-difluorobenzoic acid225104-76-766 % similar 2-Chloro-6-fluorobenzoic acid434-75-365 % similar 1-(2,6-Dichloro-3-fluorophenyl)ethanone290835-85-761 % similar 3,6-Difluorophthalic acid651-97-858 % similar 2-Chloro-6-fluoro-3-methylbenzoic acid32890-89-458 % similar 3-Chloro-2,4-difluorobenzoic acid154257-75-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloro-5-fluorobenzoic acid86522-89-6

Elsewhere

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