5-(2,6-Dichlorophenyl)-1H-tetrazole

C₇H₄Cl₂N₄CAS 50907-31-8215.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄Cl₂N₄
Molar mass: 215.04 g/mol
Exact mass: 213.9813 Da
logP: 2.17Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

50907-31-8

SMILES

C1=CC(=C(C(=C1)Cl)C2=NNN=N2)Cl

InChIKey

RLXQNTWJPTUTCL-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2N4/c8-4-2-1-3-5(9)6(4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)

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Work with 5-(2,6-Dichlorophenyl)-1H-tetrazole

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-(2-Chlorophenyl)-2H-1,2,3,4-tetrazole50907-46-567 % similar 5-Phenyltetrazole18039-42-450 % similar 5-(3-Fluorophenyl)-2H-1,2,3,4-tetrazole50907-20-550 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-450 % similar 5-(3-Bromophenyl)-2H-tetrazole3440-99-149 % similar 5-(3-Aminophenyl)tetrazole73732-51-149 % similar 5-(2-Bromophenyl)-2H-tetrazole73096-42-144 % similar 5-(4-Pyridyl)-1H-tetrazole14389-12-944 % similar

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

Same formula

5-(2,3-Dichlorophenyl)-2H-tetrazole175205-12-6

Elsewhere

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