chempirical

4-Bromoisoindoline hydrochloride

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

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

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

Work with 4-Bromoisoindoline 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

8-Bromo-1,2,3,4-tetrahydroisoquinoline75416-51-261 % similar 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-142 % similar 2-Bromobenzylamine hydrochloride5465-63-442 % similar 2-Bromophenylhydrazine hydrochloride50709-33-635 % similar 5-Bromo-1,2,3,4-tetrahydroquinoline114744-50-235 % similar 2-Bromobenzyl bromide3433-80-534 % similar 1-Bromo-3-(bromomethyl)-2-fluorobenzene149947-16-033 % similar 2-Bromobenzyl alcohol18982-54-233 % similar

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

Elsewhere

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