chempirical

1,6-Dichloro-isoquinoline

C9H5Cl2NCAS 630421-73-7198.05 g/mol

Open in Covalent MOL file
NClCl
Aryl halide

Properties

Molecular formula
C9H5Cl2N
Molar mass
198.05 g/mol
Exact mass
196.9799 Da
logP
3.54Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 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
630421-73-7
SMILES
C1=CC2=C(C=CN=C2Cl)C=C1Cl
InChIKey
JTCCQIDTKFGEQY-UHFFFAOYSA-N
InChI
InChI=1S/C9H5Cl2N/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H

Weigh it out

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Names and synonyms

1 names
  • 1,6-Dichloroisoquinoline

Work with 1,6-Dichloro-isoquinoline

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-chloro-isoquinoline205055-63-663 % similar 1-Chloroisoquinoline19493-44-857 % similar 7-Bromo-1-chloroisoquinoline215453-51-349 % similar 4,7-Dichloroquinoline86-98-647 % similar 6-Chloroisoquinoline62882-02-445 % similar 4,4'-Dichloro-2,2'-bipyridine1762-41-045 % similar 4-Amino-7-chloroquinoline1198-40-944 % similar 6-Chloroquinoline612-57-744 % similar

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

Same formula

2,6-Dichloroquinoline1810-72-6 4,8-Dichloroquinoline21617-12-9 4,5-Dichloroquinoline21617-18-5 4,6-Dichloroquinoline4203-18-3 2,8-Dichloroquinoline4470-83-1 2,5-Dichloroquinoline59412-12-3 2,4-Dichloroquinoline703-61-7 1,3-Dichloroisoquinoline7742-73-6

Elsewhere

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