7-Hydroxy-4-(trifluoromethyl)coumarin

C₁₀H₅F₃O₃CAS 575-03-1230.14 g/mol

Open in Covalent MOL file

Alkyl halide Phenol

Properties

Molecular formula: C₁₀H₅F₃O₃
Molar mass: 230.14 g/mol
Exact mass: 230.0191 Da
logP: 2.52Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed91.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation60.8% of notifiers
H336 May cause drowsiness or dizziness37.8% of notifiers

Aggregated from 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

575-03-1

SMILES

C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F

InChIKey

CCKWMCUOHJAVOL-UHFFFAOYSA-N

InChI

InChI=1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H

Weigh it out

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Names and synonyms

1 names

7-Hydroxy-4-trifluoromethylcoumarin

Work with 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)coumarin53518-15-365 % similar 4-Methylumbelliferone90-33-557 % similar 6-Chloro-7-hydroxy-4-(trifluoromethyl)coumarin119179-66-757 % similar 7-Hydroxycoumarin-4-acetic acid6950-82-949 % similar 5,7-Dihydroxycoumarin2732-18-549 % similar Umbelliferone93-35-649 % similar 6-Hydroxy-4-methylcoumarin2373-31-147 % similar Urolithin A1143-70-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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