chempirical

2-Benzofurancarbonyl chloride

C9H5ClO2CAS 41717-28-6180.59 g/mol

Open in Covalent MOL file
OClO
Acyl halide

Properties

Molecular formula
C9H5ClO2
Molar mass
180.59 g/mol
Exact mass
179.9978 Da
Melting point
54–55 °C
Boiling point
267–269 °C (at 746 Torr)
logP
2.81Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
41717-28-6
SMILES
O=C(Cl)c1cc2ccccc2o1
InChIKey
ZJDRDTZQVOCKPI-UHFFFAOYSA-N
InChI
InChI=1S/C9H5ClO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H

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Names and synonyms

7 names
  • Coumarilic acid chloride
  • Coumariloyl chloride
  • Benzofuran-2-carboxylic acid chloride
  • 2-Benzo[b]furancarbonyl chloride
  • NSC 162303
  • 1-Benzofuran-2-carbonyl chloride
  • Benzo[b]furan-2-carbonyl chloride

Work with 2-Benzofurancarbonyl chloride

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-Acetylbenzofuran1646-26-061 % similar 2-Benzofurancarboxylic acid496-41-361 % similar Phthaloyl chloride88-95-948 % similar 2-Naphthoyl chloride2243-83-647 % similar 1-Naphthoyl chloride879-18-547 % similar 2-Furoyl chloride527-69-545 % similar 2-Chlorobenzoyl chloride609-65-445 % similar 2-Benzofurancarboxaldehyde4265-16-143 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook