5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole

C12H6Cl3N3O — CID 19019580

IUPAC5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole
SMILESClc1cc2n[nH]nc2cc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C12H6Cl3N3O/c13-6-2-1-3-10(12(6)15)19-11-5-9-8(4-7(11)14)16-18-17-9/h1-5H,(H,16,17,18)
InChIKeyQSUBHVFCHOPVBE-UHFFFAOYSA-N
MW314.56 g/mol
LogP4.71
Rot. Bonds2

About 5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole

5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole (PubChem CID 19019580) has the molecular formula C12H6Cl3N3O and a molecular weight of 314.56 g/mol. Its IUPAC name is 5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole.

Molecular Properties

Compound Name5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole
PubChem CID19019580
Molecular FormulaC12H6Cl3N3O
Molecular Weight314.56 g/mol
Exact Mass312.96
IUPAC Name5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole
SMILESClc1cc2n[nH]nc2cc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C12H6Cl3N3O/c13-6-2-1-3-10(12(6)15)19-11-5-9-8(4-7(11)14)16-18-17-9/h1-5H,(H,16,17,18)
InChIKeyQSUBHVFCHOPVBE-UHFFFAOYSA-N
XLogP4.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole?
The IUPAC name of 5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole (CID 19019580) is 5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole.
What is the SMILES notation for 5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole?
The canonical SMILES for 5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole is Clc1cc2n[nH]nc2cc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of 5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole?
The InChIKey is QSUBHVFCHOPVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3O/c13-6-2-1-3-10(12(6)15)19-11-5-9-8(4-7(11)14)16-18-17-9/h1-5H,(H,16,17,18).
What are the key properties of 5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole?
5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole has a molecular weight of 314.56 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,3-dichlorophenoxy)-2H-benzotriazole is sourced from PubChem (CID 19019580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).