2-benzyl-5,6-dichlorobenzotriazole

C13H9Cl2N3 — CID 127036489

IUPAC2-benzyl-5,6-dichlorobenzotriazole
SMILESClc1cc2nn(Cc3ccccc3)nc2cc1Cl
InChIInChI=1S/C13H9Cl2N3/c14-10-6-12-13(7-11(10)15)17-18(16-12)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyRDLWEMMTPGGRLO-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.79
Rot. Bonds2

About 2-benzyl-5,6-dichlorobenzotriazole

2-benzyl-5,6-dichlorobenzotriazole (PubChem CID 127036489) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-benzyl-5,6-dichlorobenzotriazole.

Molecular Properties

Compound Name2-benzyl-5,6-dichlorobenzotriazole
PubChem CID127036489
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name2-benzyl-5,6-dichlorobenzotriazole
SMILESClc1cc2nn(Cc3ccccc3)nc2cc1Cl
InChIInChI=1S/C13H9Cl2N3/c14-10-6-12-13(7-11(10)15)17-18(16-12)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyRDLWEMMTPGGRLO-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,6-dichlorobenzotriazole?
The IUPAC name of 2-benzyl-5,6-dichlorobenzotriazole (CID 127036489) is 2-benzyl-5,6-dichlorobenzotriazole.
What is the SMILES notation for 2-benzyl-5,6-dichlorobenzotriazole?
The canonical SMILES for 2-benzyl-5,6-dichlorobenzotriazole is Clc1cc2nn(Cc3ccccc3)nc2cc1Cl.
What is the InChIKey of 2-benzyl-5,6-dichlorobenzotriazole?
The InChIKey is RDLWEMMTPGGRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-10-6-12-13(7-11(10)15)17-18(16-12)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-benzyl-5,6-dichlorobenzotriazole?
2-benzyl-5,6-dichlorobenzotriazole has a molecular weight of 278.14 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6-dichlorobenzotriazole is sourced from PubChem (CID 127036489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).