5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole

C13H8Cl3N3 — CID 127035404

IUPAC5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole
SMILESClc1ccc(Cn2nc3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C13H8Cl3N3/c14-9-3-1-8(2-4-9)7-19-17-12-5-10(15)11(16)6-13(12)18-19/h1-6H,7H2
InChIKeyQLOSEQZVUIAXOV-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.44
Rot. Bonds2

About 5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole

5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole (PubChem CID 127035404) has the molecular formula C13H8Cl3N3 and a molecular weight of 312.59 g/mol. Its IUPAC name is 5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole.

Molecular Properties

Compound Name5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole
PubChem CID127035404
Molecular FormulaC13H8Cl3N3
Molecular Weight312.59 g/mol
Exact Mass310.98
IUPAC Name5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole
SMILESClc1ccc(Cn2nc3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C13H8Cl3N3/c14-9-3-1-8(2-4-9)7-19-17-12-5-10(15)11(16)6-13(12)18-19/h1-6H,7H2
InChIKeyQLOSEQZVUIAXOV-UHFFFAOYSA-N
XLogP4.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole?
The IUPAC name of 5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole (CID 127035404) is 5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole.
What is the SMILES notation for 5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole?
The canonical SMILES for 5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole is Clc1ccc(Cn2nc3cc(Cl)c(Cl)cc3n2)cc1.
What is the InChIKey of 5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole?
The InChIKey is QLOSEQZVUIAXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3/c14-9-3-1-8(2-4-9)7-19-17-12-5-10(15)11(16)6-13(12)18-19/h1-6H,7H2.
What are the key properties of 5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole?
5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole has a molecular weight of 312.59 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[(4-chlorophenyl)methyl]benzotriazole is sourced from PubChem (CID 127035404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).