4,6-dichloro-2H-benzotriazole

C6H3Cl2N3 — CID 22169343

IUPAC4,6-dichloro-2H-benzotriazole
SMILESClc1cc(Cl)c2n[nH]nc2c1
InChIInChI=1S/C6H3Cl2N3/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H,(H,9,10,11)
InChIKeyJIEIAVACOCLACU-UHFFFAOYSA-N
MW188.02 g/mol
LogP2.26
Rot. Bonds

About 4,6-dichloro-2H-benzotriazole

4,6-dichloro-2H-benzotriazole (PubChem CID 22169343) has the molecular formula C6H3Cl2N3 and a molecular weight of 188.02 g/mol. Its IUPAC name is 4,6-dichloro-2H-benzotriazole.

Molecular Properties

Compound Name4,6-dichloro-2H-benzotriazole
PubChem CID22169343
Molecular FormulaC6H3Cl2N3
Molecular Weight188.02 g/mol
Exact Mass186.97
IUPAC Name4,6-dichloro-2H-benzotriazole
SMILESClc1cc(Cl)c2n[nH]nc2c1
InChIInChI=1S/C6H3Cl2N3/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H,(H,9,10,11)
InChIKeyJIEIAVACOCLACU-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2H-benzotriazole?
The IUPAC name of 4,6-dichloro-2H-benzotriazole (CID 22169343) is 4,6-dichloro-2H-benzotriazole.
What is the SMILES notation for 4,6-dichloro-2H-benzotriazole?
The canonical SMILES for 4,6-dichloro-2H-benzotriazole is Clc1cc(Cl)c2n[nH]nc2c1.
What is the InChIKey of 4,6-dichloro-2H-benzotriazole?
The InChIKey is JIEIAVACOCLACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H,(H,9,10,11).
What are the key properties of 4,6-dichloro-2H-benzotriazole?
4,6-dichloro-2H-benzotriazole has a molecular weight of 188.02 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2H-benzotriazole is sourced from PubChem (CID 22169343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).