4-Bromo-1-chloroisoquinoline

C₉H₅BrClNCAS 66728-98-1242.50 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₅BrClN
Molar mass: 242.50 g/mol
Exact mass: 240.9294 Da
Melting point: 97 °C (decomposes)
logP: 3.65Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

66728-98-1

SMILES

Clc1ncc(Br)c2ccccc12

InChIKey

HRWILRGBDZGABZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H5BrClN/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H

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

Names and synonyms

2 names

Isoquinoline, 4-bromo-1-chloro-
1-Chloro-4-bromoisoquinoline

Work with 4-Bromo-1-chloroisoquinoline

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

1,4-Dichlorophthalazine4752-10-748 % similar 3-Bromo-2-chloropyridine52200-48-347 % similar 1,4-Dibromonaphthalene83-53-446 % similar 5-Bromo-2,4-dichloropyrimidine36082-50-545 % similar 4-Bromoisoquinoline1532-97-444 % similar 6,12-Dibromochrysene131222-99-641 % similar 5-Bromo-4-chloropyrimidin-2-amine1044767-99-841 % similar 5-Bromo-6-chloro-3-pyridinamine130284-53-641 % similar

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

Same formula

8-Bromo-2-chloroquinoline163485-86-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook