chempirical

3-Chloropyridazine

C4H3ClN2CAS 1120-95-2114.53 g/mol

Open in Covalent MOL file
NNCl
Aryl halide

Properties

Molecular formula
C4H3ClN2
Molar mass
114.53 g/mol
Exact mass
113.9985 Da
logP
1.13Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1120-95-2
SMILES
C1=CC(=NN=C1)Cl
InChIKey
IBWYHNOFSKJKKY-UHFFFAOYSA-N
InChI
InChI=1S/C4H3ClN2/c5-4-2-1-3-6-7-4/h1-3H

Weigh it out

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

Work with 3-Chloropyridazine

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

3,6-Dichloropyridazine141-30-050 % similar 2,6-Dichloropyridine2402-78-048 % similar 2-Chloropyridine109-09-146 % similar 3-Methylpyridazine1632-76-444 % similar 3(2H)-Pyridazinone504-30-344 % similar 3-Methoxypyridazine19064-65-439 % similar 3-Chloro-6-phenylpyridazine20375-65-938 % similar 3-Chloro-6-methylpyridazine1121-79-537 % similar

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

Same formula

Chloropyrazine14508-49-7 5-Chloropyrimidine17180-94-8 2-Chloropyrimidine1722-12-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook