chempirical

5-(2-Iodophenyl)-1H-tetrazole

C7H5IN4CAS 73096-40-9272.05 g/mol

Open in Covalent MOL file
NHNNNI
Aryl halide

Properties

Molecular formula
C7H5IN4
Molar mass
272.05 g/mol
Exact mass
271.9559 Da
logP
1.47Crippen estimate
Polar surface area
54.5 Ų
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
73096-40-9
SMILES
C1=CC=C(C(=C1)C2=NNN=N2)I
InChIKey
BISBCDUUTDMGBR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5IN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)

Weigh it out

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

Work with 5-(2-Iodophenyl)-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-Bromophenyl)-2H-tetrazole73096-42-159 % similar 5-(2-Chlorophenyl)-2H-1,2,3,4-tetrazole50907-46-558 % similar 5-Phenyltetrazole18039-42-452 % similar 5-(4′-Methyl-1,1′-biphenyl-2-yl)-1H-tetrazole120568-11-851 % similar 5-(2,3-Dichlorophenyl)-2H-tetrazole175205-12-650 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-447 % similar 5-(2,6-Dichlorophenyl)-1H-tetrazole50907-31-843 % similar 2-Iodobiphenyl2113-51-142 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook