chempirical

Isobenzan

C9H4Cl8OCAS 297-78-9411.73 g/mol

Open in Covalent MOL file
ClClClClOClClClCl
AlkeneAlkyl halideEtherVinyl halide

Properties

Molecular formula
C9H4Cl8O
Molar mass
411.73 g/mol
Exact mass
407.7770 Da
Density
1.87 g/mL
Melting point
120–122 °C
logP
5.22Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
297-78-9
SMILES
ClC1=C(Cl)C2(Cl)C3C(Cl)OC(Cl)C3C1(Cl)C2(Cl)Cl
InChIKey
LRWHHSXTGZSMSN-UHFFFAOYSA-N
InChI
InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H

Weigh it out

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

Names and synonyms

11 names
  • 4,7-Methanoisobenzofuran, 1,3,4,5,6,7,8,8-octachloro-1,3,3a,4,7,7a-hexahydro-
  • 4,7-Methanoisobenzofuran, 1,3,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-
  • 1,3,4,5,6,7,8,8-Octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran
  • SD 4402
  • CP 14,957
  • ENT 25,545-X
  • 1,3,4,5,6,7,8,8-Octachloro-2-oxa-3a,4,7,7a-tetrahydro-4,7-methanoindene
  • 1,3,4,5,6,7,8,8-Octachloro-3a,4,7,7a-tetrahydro-4,7-methanophthalan
  • Telodrin
  • 948
  • WL 1650

Work with Isobenzan

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

Dieldrin60-57-155 % similar Endrin72-20-855 % similar Heptachlor76-44-849 % similar Aldrin309-00-248 % similar Dechlorane plus13560-89-947 % similar Chlordane57-74-946 % similar Chlorendic anhydride115-27-544 % similar Chlorendic acid115-28-640 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia