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

C8H9BrClNCAS 919346-89-7234.52 g/mol

Open in Covalent MOL file
HNBrHCl
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 the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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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-fluorobenzylamine hydrochloride202865-69-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-isoindoline HCl923590-95-8

Elsewhere

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