6,7-dichloro-1-propan-2-ylbenzotriazole

C9H9Cl2N3 — CID 70442733

IUPAC6,7-dichloro-1-propan-2-ylbenzotriazole
SMILESCC(C)n1nnc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C9H9Cl2N3/c1-5(2)14-9-7(12-13-14)4-3-6(10)8(9)11/h3-5H,1-2H3
InChIKeyUNESCABPOOFTFN-UHFFFAOYSA-N
MW230.10 g/mol
LogP3.32
Rot. Bonds1

About 6,7-dichloro-1-propan-2-ylbenzotriazole

6,7-dichloro-1-propan-2-ylbenzotriazole (PubChem CID 70442733) has the molecular formula C9H9Cl2N3 and a molecular weight of 230.10 g/mol. Its IUPAC name is 6,7-dichloro-1-propan-2-ylbenzotriazole.

Molecular Properties

Compound Name6,7-dichloro-1-propan-2-ylbenzotriazole
PubChem CID70442733
Molecular FormulaC9H9Cl2N3
Molecular Weight230.10 g/mol
Exact Mass229.02
IUPAC Name6,7-dichloro-1-propan-2-ylbenzotriazole
SMILESCC(C)n1nnc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C9H9Cl2N3/c1-5(2)14-9-7(12-13-14)4-3-6(10)8(9)11/h3-5H,1-2H3
InChIKeyUNESCABPOOFTFN-UHFFFAOYSA-N
XLogP3.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1-propan-2-ylbenzotriazole?
The IUPAC name of 6,7-dichloro-1-propan-2-ylbenzotriazole (CID 70442733) is 6,7-dichloro-1-propan-2-ylbenzotriazole.
What is the SMILES notation for 6,7-dichloro-1-propan-2-ylbenzotriazole?
The canonical SMILES for 6,7-dichloro-1-propan-2-ylbenzotriazole is CC(C)n1nnc2ccc(Cl)c(Cl)c21.
What is the InChIKey of 6,7-dichloro-1-propan-2-ylbenzotriazole?
The InChIKey is UNESCABPOOFTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3/c1-5(2)14-9-7(12-13-14)4-3-6(10)8(9)11/h3-5H,1-2H3.
What are the key properties of 6,7-dichloro-1-propan-2-ylbenzotriazole?
6,7-dichloro-1-propan-2-ylbenzotriazole has a molecular weight of 230.10 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-propan-2-ylbenzotriazole is sourced from PubChem (CID 70442733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).