5-(2,3-Dichlorophenyl)-2H-tetrazole

C₇H₄Cl₂N₄CAS 175205-12-6215.04 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

Identifiers

CAS number

175205-12-6

SMILES

Clc1cccc(-c2nn[nH]n2)c1Cl

InChIKey

OICQEAMHYWSULT-UHFFFAOYSA-N

InChI

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

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Names and synonyms

4 names

2H-Tetrazole, 5-(2,3-dichlorophenyl)-
1H-Tetrazole, 5-(2,3-dichlorophenyl)-
5-[2,3-Dichlorophenyl]tetrazole
5-(2,3-Dichlorophenyl)-1H-tetrazole

Work with 5-(2,3-Dichlorophenyl)-2H-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-tetrazole73096-42-151 % similar 5-(4′-Methyl-1,1′-biphenyl-2-yl)-1H-tetrazole120568-11-845 % similar 5-Phenyltetrazole18039-42-444 % similar 5-(3-Bromophenyl)-2H-tetrazole3440-99-144 % similar 5-(3-Aminophenyl)tetrazole73732-51-144 % similar 4-Amino-2-chloro-5-(2H-tetrazol-5-yl)benzenesulfonamide82212-14-443 % similar Clofentezine74115-24-542 % similar 1,2,3-Trichlorobenzene87-61-641 % similar

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

Elsewhere

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