1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole

C15H8Cl4N8 — CID 5340220

IUPAC1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole
SMILESClc1ccccc1-n1nnnc1C(Cl)(Cl)c1nnnn1-c1ccccc1Cl
InChIInChI=1S/C15H8Cl4N8/c16-9-5-1-3-7-11(9)26-13(20-22-24-26)15(18,19)14-21-23-25-27(14)12-8-4-2-6-10(12)17/h1-8H
InChIKeyIEQXYAVFYAJXHX-UHFFFAOYSA-N
MW442.10 g/mol
LogP3.62
Rot. Bonds4

About 1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole

1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole (PubChem CID 5340220) has the molecular formula C15H8Cl4N8 and a molecular weight of 442.10 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole
PubChem CID5340220
Molecular FormulaC15H8Cl4N8
Molecular Weight442.10 g/mol
Exact Mass439.96
IUPAC Name1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole
SMILESClc1ccccc1-n1nnnc1C(Cl)(Cl)c1nnnn1-c1ccccc1Cl
InChIInChI=1S/C15H8Cl4N8/c16-9-5-1-3-7-11(9)26-13(20-22-24-26)15(18,19)14-21-23-25-27(14)12-8-4-2-6-10(12)17/h1-8H
InChIKeyIEQXYAVFYAJXHX-UHFFFAOYSA-N
XLogP3.62
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.10
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole?
The IUPAC name of 1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole (CID 5340220) is 1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole?
The canonical SMILES for 1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole is Clc1ccccc1-n1nnnc1C(Cl)(Cl)c1nnnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole?
The InChIKey is IEQXYAVFYAJXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl4N8/c16-9-5-1-3-7-11(9)26-13(20-22-24-26)15(18,19)14-21-23-25-27(14)12-8-4-2-6-10(12)17/h1-8H.
What are the key properties of 1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole?
1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole has a molecular weight of 442.10 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole is sourced from PubChem (CID 5340220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).