6-Aminocoumarin hydrochloride

C₉H₈ClNO₂CAS 63989-79-7197.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈ClNO₂
Molar mass: 197.62 g/mol
Exact mass: 197.0244 Da
logP: 1.80Crippen estimate
Polar surface area: 56.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

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

63989-79-7

SMILES

C1=CC2=C(C=CC(=O)O2)C=C1N.Cl

InChIKey

OSIGAIXSSYAHEG-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO2.ClH/c10-7-2-3-8-6(5-7)1-4-9(11)12-8;/h1-5H,10H2;1H

Weigh it out

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Work with 6-Aminocoumarin hydrochloride

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

6-Hydroxycoumarin6093-68-153 % similar 6-Methylcoumarin92-48-853 % similar 6-Formaldehydecoumarin51690-26-750 % similar Coumarin91-64-547 % similar Coumarin-6-sulfonyl chloride10543-42-746 % similar 6-Nitrocoumarin2725-81-746 % similar 6-Carboxycoumarin7734-80-746 % similar Scoparone120-08-146 % similar

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

Same formula

2-Chloro-3,4-dimethoxybenzonitrile119413-61-5

Elsewhere

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