2,4-dichlorobenzotriazole

C6H3Cl2N3 — CID 168960354

IUPAC2,4-dichlorobenzotriazole
SMILESClc1cccc2nn(Cl)nc12
InChIInChI=1S/C6H3Cl2N3/c7-4-2-1-3-5-6(4)10-11(8)9-5/h1-3H
InChIKeyVHOJFHZITIBVGM-UHFFFAOYSA-N
MW188.02 g/mol
LogP2.09
Rot. Bonds

About 2,4-dichlorobenzotriazole

2,4-dichlorobenzotriazole (PubChem CID 168960354) has the molecular formula C6H3Cl2N3 and a molecular weight of 188.02 g/mol. Its IUPAC name is 2,4-dichlorobenzotriazole.

Molecular Properties

Compound Name2,4-dichlorobenzotriazole
PubChem CID168960354
Molecular FormulaC6H3Cl2N3
Molecular Weight188.02 g/mol
Exact Mass186.97
IUPAC Name2,4-dichlorobenzotriazole
SMILESClc1cccc2nn(Cl)nc12
InChIInChI=1S/C6H3Cl2N3/c7-4-2-1-3-5-6(4)10-11(8)9-5/h1-3H
InChIKeyVHOJFHZITIBVGM-UHFFFAOYSA-N
XLogP2.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorobenzotriazole?
The IUPAC name of 2,4-dichlorobenzotriazole (CID 168960354) is 2,4-dichlorobenzotriazole.
What is the SMILES notation for 2,4-dichlorobenzotriazole?
The canonical SMILES for 2,4-dichlorobenzotriazole is Clc1cccc2nn(Cl)nc12.
What is the InChIKey of 2,4-dichlorobenzotriazole?
The InChIKey is VHOJFHZITIBVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3/c7-4-2-1-3-5-6(4)10-11(8)9-5/h1-3H.
What are the key properties of 2,4-dichlorobenzotriazole?
2,4-dichlorobenzotriazole has a molecular weight of 188.02 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorobenzotriazole is sourced from PubChem (CID 168960354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).