6-Chloro-7-hydroxy-4-(trifluoromethyl)coumarin

C₁₀H₄ClF₃O₃CAS 119179-66-7264.58 g/mol

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Alkyl halide Aryl halide Phenol

Properties

Molecular formula: C₁₀H₄ClF₃O₃
Molar mass: 264.58 g/mol
Exact mass: 263.9801 Da
logP: 3.17Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

119179-66-7

SMILES

C1=C2C(=CC(=O)OC2=CC(=C1Cl)O)C(F)(F)F

InChIKey

AJOANILONFCHFL-UHFFFAOYSA-N

InChI

InChI=1S/C10H4ClF3O3/c11-6-1-4-5(10(12,13)14)2-9(16)17-8(4)3-7(6)15/h1-3,15H

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Names and synonyms

1 names

6-Chloro-7-hydroxy-4-(trifluoromethyl)-2H-1-benzopyran-2-one

Work with 6-Chloro-7-hydroxy-4-(trifluoromethyl)coumarin

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

7-Amino-4-(trifluoromethyl)coumarin53518-15-350 % similar Coumarin 15353518-18-639 % similar 4-Hydroxycoumarin1076-38-638 % similar Aesculetin305-01-136 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-236 % similar 4-Chloro-3-(trifluoromethyl)phenol6294-93-536 % similar 2,5-Dichlorohydroquinone824-69-135 % similar 4-Hydroxy-6-methylcoumarin13252-83-035 % similar

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

Elsewhere

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