1,3-Dichloroisoquinoline

C₉H₅Cl₂NCAS 7742-73-6198.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₅Cl₂N
Molar mass: 198.05 g/mol
Exact mass: 196.9799 Da
Melting point: 123 °C
logP: 3.54Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

7742-73-6

SMILES

Clc1cc2ccccc2c(Cl)n1

InChIKey

BRGZEQXWZWBPJH-UHFFFAOYSA-N

InChI

InChI=1S/C9H5Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5H

Weigh it out

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

Names and synonyms

2 names

Isoquinoline, 1,3-dichloro-
NSC 170843

Work with 1,3-Dichloroisoquinoline

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

3-Chloroisoquinoline19493-45-947 % similar 2,3,4,6-Tetrachloropyridine14121-36-945 % similar 2,4-Dichloroquinazoline607-68-144 % similar 1,4-Dichlorophthalazine4752-10-743 % similar 1-Chloronaphthalene90-13-141 % similar 2,4,7-Trichloropyrido[2,3-D]pyrimidine938443-20-041 % similar Fenclorim3740-92-941 % similar 2-Chloroquinoline612-62-441 % 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 4,7-Dichloroquinoline86-98-6

Elsewhere

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