8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-B]pyridin-11-one

C₁₄H₁₀ClNOCAS 31251-41-9243.69 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₄H₁₀ClNO
Molar mass: 243.69 g/mol
Exact mass: 243.0451 Da
Melting point: 93 °C
logP: 3.06Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

31251-41-9

SMILES

O=C1c2ccc(Cl)cc2CCc2cccnc21

InChIKey

WMQNOYVVLMIZDV-UHFFFAOYSA-N

InChI

InChI=1S/C14H10ClNO/c15-11-5-6-12-10(8-11)4-3-9-2-1-7-16-13(9)14(12)17/h1-2,5-8H,3-4H2

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Names and synonyms

1 names

11H-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-one, 8-chloro-5,6-dihydro-

Work with 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-B]pyridin-11-one

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

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

Elsewhere

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