7-Fluoronaphthalene-1,3-diol

C₁₀H₇FO₂CAS 2460027-79-4178.16 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₁₀H₇FO₂
Molar mass: 178.16 g/mol
Exact mass: 178.0430 Da
logP: 2.39Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
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

2460027-79-4

SMILES

C1=CC(=CC2=C(C=C(C=C21)O)O)F

InChIKey

BFVNQJDIGYJIDR-UHFFFAOYSA-N

InChI

InChI=1S/C10H7FO2/c11-7-2-1-6-3-8(12)5-10(13)9(6)4-7/h1-5,12-13H

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Names and synonyms

1 names

1,3-Naphthalenediol, 7-fluoro-

Work with 7-Fluoronaphthalene-1,3-diol

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

1,3-Dihydroxynaphthalene132-86-557 % similar 4-Fluoro-1,2-benzenediol367-32-847 % similar 2,5-Difluorophenol2713-31-744 % similar 2,4-Difluorophenol367-27-144 % similar 2-Chloro-5-fluorophenol3827-49-442 % similar 3-Fluorophenol372-20-342 % similar 3,5-Difluorophenol2713-34-041 % similar 4-Fluorophenol371-41-541 % similar

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

Elsewhere

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