4-Bromo-isoindoline HCl

C8H9BrClNCAS 923590-95-8234.52 g/mol

Open in Covalent MOL file
BrHNHCl
Aryl halideSecondary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
923590-95-8
SMILES
Brc1cccc2c1CNC2.Cl
InChIKey
FQHLHVFOJBANKY-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 1H-Isoindole, 4-bromo-2,3-dihydro-, hydrochloride (1:1)
  • 4-Bromoisoindoline hydrochloride
  • 4-Bromo-2,3-dihydro-1H-isoindole hydrochloride

Work with 4-Bromo-isoindoline HCl

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

8-Bromo-1,2,3,4-tetrahydroisoquinoline75416-51-261 % similar 4-Fluoro-1H-isoindoline hydrochloride924305-06-661 % similar Isoindoline496-12-844 % similar 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-142 % similar 2-Bromobenzylamine hydrochloride5465-63-442 % similar 4-Bromo-2-indanone846032-36-839 % similar (2-Bromobenzyl)methylamine698-19-138 % similar 1H,2H,3H-Pyrrolo(3,4-c)pyridine dihydrochloride6000-50-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2,3-dihydro-1H-isoindole hydrochloride919346-89-7

Elsewhere

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