Imd-0354

C₁₅H₈ClF₆NO₂CAS 978-62-1383.67 g/mol

Open in Covalent MOL file

Alkyl halide Amide Aryl halide Phenol

Properties

Molecular formula: C₁₅H₈ClF₆NO₂
Molar mass: 383.67 g/mol
Exact mass: 383.0148 Da
logP: 5.34Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

978-62-1

SMILES

C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O

InChIKey

CHILCFMQWMQVAL-UHFFFAOYSA-N

InChI

InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)

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Work with Imd-0354

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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