4,7-dichloro-2,1,3-benzoxadiazole

C6H2Cl2N2O — CID 55270538

IUPAC4,7-dichloro-2,1,3-benzoxadiazole
SMILESClc1ccc(Cl)c2nonc12
InChIInChI=1S/C6H2Cl2N2O/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
InChIKeyHPTKXWHMCKPSKX-UHFFFAOYSA-N
MW189.00 g/mol
LogP2.53
Rot. Bonds

About 4,7-dichloro-2,1,3-benzoxadiazole

4,7-dichloro-2,1,3-benzoxadiazole (PubChem CID 55270538) has the molecular formula C6H2Cl2N2O and a molecular weight of 189.00 g/mol. Its IUPAC name is 4,7-dichloro-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4,7-dichloro-2,1,3-benzoxadiazole
PubChem CID55270538
Molecular FormulaC6H2Cl2N2O
Molecular Weight189.00 g/mol
Exact Mass187.95
IUPAC Name4,7-dichloro-2,1,3-benzoxadiazole
SMILESClc1ccc(Cl)c2nonc12
InChIInChI=1S/C6H2Cl2N2O/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
InChIKeyHPTKXWHMCKPSKX-UHFFFAOYSA-N
XLogP2.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.00
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2,1,3-benzoxadiazole?
The IUPAC name of 4,7-dichloro-2,1,3-benzoxadiazole (CID 55270538) is 4,7-dichloro-2,1,3-benzoxadiazole.
What is the SMILES notation for 4,7-dichloro-2,1,3-benzoxadiazole?
The canonical SMILES for 4,7-dichloro-2,1,3-benzoxadiazole is Clc1ccc(Cl)c2nonc12.
What is the InChIKey of 4,7-dichloro-2,1,3-benzoxadiazole?
The InChIKey is HPTKXWHMCKPSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2O/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H.
What are the key properties of 4,7-dichloro-2,1,3-benzoxadiazole?
4,7-dichloro-2,1,3-benzoxadiazole has a molecular weight of 189.00 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2,1,3-benzoxadiazole is sourced from PubChem (CID 55270538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).