2-(benzotriazol-2-yl)-4,6-dichlorophenol

C12H7Cl2N3O — CID 22388745

IUPAC2-(benzotriazol-2-yl)-4,6-dichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1-n1nc2ccccc2n1
InChIInChI=1S/C12H7Cl2N3O/c13-7-5-8(14)12(18)11(6-7)17-15-9-3-1-2-4-10(9)16-17/h1-6,18H
InChIKeyODVBRJXPJKVLCZ-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.43
Rot. Bonds1

About 2-(benzotriazol-2-yl)-4,6-dichlorophenol

2-(benzotriazol-2-yl)-4,6-dichlorophenol (PubChem CID 22388745) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,6-dichlorophenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4,6-dichlorophenol
PubChem CID22388745
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name2-(benzotriazol-2-yl)-4,6-dichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1-n1nc2ccccc2n1
InChIInChI=1S/C12H7Cl2N3O/c13-7-5-8(14)12(18)11(6-7)17-15-9-3-1-2-4-10(9)16-17/h1-6,18H
InChIKeyODVBRJXPJKVLCZ-UHFFFAOYSA-N
XLogP3.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4,6-dichlorophenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4,6-dichlorophenol (CID 22388745) is 2-(benzotriazol-2-yl)-4,6-dichlorophenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4,6-dichlorophenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4,6-dichlorophenol is Oc1c(Cl)cc(Cl)cc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4,6-dichlorophenol?
The InChIKey is ODVBRJXPJKVLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c13-7-5-8(14)12(18)11(6-7)17-15-9-3-1-2-4-10(9)16-17/h1-6,18H.
What are the key properties of 2-(benzotriazol-2-yl)-4,6-dichlorophenol?
2-(benzotriazol-2-yl)-4,6-dichlorophenol has a molecular weight of 280.11 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4,6-dichlorophenol is sourced from PubChem (CID 22388745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).