6-Chloro-3-nitroimidazo[1,2-B]pyridazine

C₆H₃ClN₄O₂CAS 18087-76-8198.57 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃ClN₄O₂
Molar mass: 198.57 g/mol
Exact mass: 197.9945 Da
Melting point: 210 °C
logP: 1.29Crippen estimate
Polar surface area: 73.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

18087-76-8

SMILES

O=[N+]([O-])c1cnc2ccc(Cl)nn12

InChIKey

IJEZMDPWGDWYKJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClN4O2/c7-4-1-2-5-8-3-6(11(12)13)10(5)9-4/h1-3H

Weigh it out

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

Names and synonyms

1 names

Imidazo[1,2-b]pyridazine, 6-chloro-3-nitro-

Work with 6-Chloro-3-nitroimidazo[1,2-B]pyridazine

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

2-Chloro-5-nitropyridine4548-45-254 % similar 2-Chloro-5-nitropyrimidine10320-42-042 % similar 2,6-Dichloro-3-nitropyridine16013-85-740 % similar Ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate1150566-27-040 % similar Dimetridazole551-92-840 % similar 6-Chloro-2-methyl-3-nitropyridine22280-60-039 % similar 2-Amino-6-chloro-3-nitropyridine27048-04-039 % similar 2,2′-Dithiobis[5-nitropyridine]2127-10-838 % similar

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

Same formula

5-Chloro-3-nitropyrazolo[1,5-A]pyrimidine1363380-51-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook