chempirical

2,5-Dichloroquinoline

C9H5Cl2NCAS 59412-12-3198.05 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
59412-12-3
SMILES
C1=CC2=C(C=CC(=N2)Cl)C(=C1)Cl
InChIKey
RVLOQSXPPSJIMX-UHFFFAOYSA-N
InChI
InChI=1S/C9H5Cl2N/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H

Weigh it out

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

Work with 2,5-Dichloroquinoline

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

5-Chloroquinaldine4964-69-660 % similar 2-Chloroquinoline612-62-452 % similar 5-Chloroquinoline635-27-850 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-249 % similar 4-Chloro-2-methylquinoline4295-06-148 % similar 2-Chloro-4-methylquinoline634-47-948 % similar 4-Chloroquinoline611-35-845 % similar 2,3,6-Trichloropyridine6515-09-945 % 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 1,6-Dichloro-isoquinoline630421-73-7 2,4-Dichloroquinoline703-61-7 1,3-Dichloroisoquinoline7742-73-6

Elsewhere

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