5-Bromo-2,3-dihydro-1H-isoindole hydrochloride

C₈H₉BrClNCAS 919346-89-7234.52 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₈H₉BrClN
Molar mass: 234.52 g/mol
Exact mass: 232.9607 Da
logP: 2.47Crippen 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

919346-89-7

SMILES

C1C2=C(CN1)C=C(C=C2)Br.Cl

InChIKey

GDMXNYRWVLBUDZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrN.ClH/c9-8-2-1-6-4-10-5-7(6)3-8;/h1-3,10H,4-5H2;1H

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Work with 5-Bromo-2,3-dihydro-1H-isoindole 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-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride215798-19-973 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride220247-73-473 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-663 % similar 6-Bromo-1,2,3,4-tetrahydroisoquinoline226942-29-663 % similar 5-Fluoro isoindoline hydrochloride685565-15-555 % similar 3-Bromobicyclo[4.2.0]octa-1,3,5-triene1073-39-850 % similar 4-Bromo-2-fluorobenzylamine hydrochloride147181-08-644 % similar (5-Bromo-2-fluorobenzyl)amine hydrochloride202865-69-844 % similar

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

Same formula

4-Bromoisoindoline hydrochloride923590-95-8

Elsewhere

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