chempirical

Anthracene-9-carbonyl chloride

C15H9ClOCAS 16331-52-5240.69 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C15H9ClO
Molar mass
240.69 g/mol
Exact mass
240.0342 Da
logP
4.37Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
16331-52-5
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)Cl
InChIKey
REJFOBQJXSGDSB-UHFFFAOYSA-N
InChI
InChI=1S/C15H9ClO/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H

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Names and synonyms

1 names
  • 9-Anthracenecarbonyl chloride

Work with Anthracene-9-carbonyl 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

9-Anthracenecarboxylic acid723-62-655 % similar 9-Acetylanthracene784-04-355 % similar 1-Naphthoyl chloride879-18-555 % similar 2,6-Dichlorobenzoyl chloride4659-45-452 % similar 2-Ethoxy-1-naphthalenecarbonyl chloride55150-29-351 % similar 2-Naphthoyl chloride2243-83-650 % similar 2-Benzofurancarbonyl chloride41717-28-647 % similar Phthaloyl chloride88-95-946 % similar

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

Elsewhere

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