chempirical

Chlorendic acid

C9H4Cl6O4CAS 115-28-6388.83 g/mol

Open in Covalent MOL file
OHOOOHClClClClClCl
AlkeneAlkyl halideCarboxylic acidVinyl halide

Properties

Molecular formula
C9H4Cl6O4
Molar mass
388.83 g/mol
Exact mass
385.8241 Da
Melting point
209 °C
logP
3.23Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
115-28-6
SMILES
O=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl
InChIKey
DJKGDNKYTKCJKD-UHFFFAOYSA-N
InChI
InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)

Weigh it out

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

Names and synonyms

12 names
  • Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-
  • 5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-
  • 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
  • 1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid
  • Hexachloroendomethylenetetrahydrophthalic acid
  • HET acid
  • 1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid
  • 2H,3H-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
  • 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid
  • NSC 22231
  • NSC 41876
  • 1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid

Work with Chlorendic 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

Chlorendic anhydride115-27-556 % similar Dechlorane plus13560-89-945 % similar Isobenzan297-78-940 % similar Aldrin309-00-239 % similar Endosulfan115-29-738 % similar Dieldrin60-57-137 % similar Endrin72-20-837 % similar (1R,3S)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid55701-03-636 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia