4-Fluoro-1H-isoindoline hydrochloride

C₈H₉ClFNCAS 924305-06-6173.62 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₈H₉ClFN
Molar mass: 173.62 g/mol
Exact mass: 173.0408 Da
logP: 1.85Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
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

924305-06-6

SMILES

C1C2=C(CN1)C(=CC=C2)F.Cl

InChIKey

MKNPYNGKUKUSFB-UHFFFAOYSA-N

InChI

InChI=1S/C8H8FN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H

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Names and synonyms

1 names

4-Fluoro-isoindoline hcl

Work with 4-Fluoro-1H-isoindoline 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

4-Bromo-isoindoline HCl923590-95-861 % similar Isoindoline496-12-844 % similar 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-142 % similar 2,6-Difluorobenzenemethanol19064-18-742 % similar 2,6-Difluorobenzylamine69385-30-442 % similar 2,6-Difluorobenzyl chloride697-73-442 % similar 2,6-Difluorobenzyl bromide85118-00-942 % similar 2-Fluoro-N-methylbenzylamine399-30-441 % similar

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

Same formula

5-Fluoro isoindoline hydrochloride685565-15-5

Elsewhere

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