chempirical

1-Chlorodibenzofuran

C12H7ClOCAS 84761-86-4202.64 g/mol

Open in Covalent MOL file
ClO
Aryl halide

Properties

Molecular formula
C12H7ClO
Molar mass
202.64 g/mol
Exact mass
202.0185 Da
logP
4.24Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
84761-86-4
SMILES
Clc1cccc2oc3ccccc3c12
InChIKey
WRSMJZYBNIAAEE-UHFFFAOYSA-N
InChI
InChI=1S/C12H7ClO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H

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

Names and synonyms

2 names
  • Dibenzofuran, 1-chloro-
  • PCDF 1

Work with 1-Chlorodibenzofuran

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

1-Bromodibenzofuran50548-45-359 % similar 1-Dibenzofuranamine50548-40-857 % similar Dibenzofuran132-64-954 % similar B-1-Dibenzofuranylboronic acid162607-19-452 % similar 1-Chloronaphthalene90-13-143 % similar 3-Dibenzofuranamine4106-66-542 % similar 4-Dibenzofuranamine50548-43-142 % similar 2-Bromodibenzofuran86-76-042 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook