Quinclorac

C10H5Cl2NO2CAS 84087-01-4242.06 g/mol

Open in Covalent MOL file
OHOClClN
Aryl halideCarboxylic acid

Properties

Molecular formula
C10H5Cl2NO2
Molar mass
242.06 g/mol
Exact mass
240.9697 Da
Density
1.75 g/mL
Melting point
274 °C
pKa
4.34
logP
3.24Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 607-186-00-8), via PubChem.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
84087-01-4
SMILES
O=C(O)c1c(Cl)ccc2cc(Cl)cnc12
InChIKey
FFSSWMQPCJRCRV-UHFFFAOYSA-N
InChI
InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)

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Names and synonyms

10 names
  • 8-Quinolinecarboxylic acid, 3,7-dichloro-
  • 3,7-Dichloro-8-quinolinecarboxylic acid
  • BAS 514
  • Drive
  • Facet LA
  • Parmount 75WG
  • Paramount
  • Facet
  • BAS 514H
  • Accord 75DF

Work with Quinclorac

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

3,5-Dichloro-2-pyridinecarboxylic acid81719-53-154 % similar 2,6-Dichlorobenzoic acid50-30-651 % similar 2,4,6-Trichlorobenzoic acid50-43-149 % similar 2,3,6-Trichlorobenzoic acid50-31-748 % similar 2,4-Dichloronicotinic acid262423-77-847 % similar 2,5-Dichloropyridine-3-carboxylic acid59782-85-347 % similar 3,6-Dichlorosalicylic acid3401-80-746 % similar 2,5-Dichlorobenzoic acid50-79-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(3,5-Dichlorophenyl)maleimide24096-52-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia