4,5,6,7-Tetrachloro-1-tetrahydrofuran-2-yl-benzotriazole

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Basic information

Standard SMILES: Clc1c(Cl)c(Cl)c2c(nnn2C2CCCO2)c1Cl
InChIKey: SJJIYQLKZGNSEF-UHFFFAOYSA-N
Molecular formula: C10H7Cl4N3O
Average molar mass: 327 g/mol
Monoisotopic mass: 324.934323

Names & identifiers

Preferred name: 4,5,6,7-Tetrachloro-1-tetrahydrofuran-2-yl-benzotriazole
IUPAC: 4,5,6,7-tetrachloro-1-(oxolan-2-yl)benzotriazole

Names & synonyms

NSC682552CHEMBL1965798NSC-682552NCI60_0295554,5,6,7-tetrachloro-1-tetrahydrofuran-2-yl-benzotriazole4,5,6,7-Tetrachloro-1-tetrahydro-2-furanyl-1H-1,2,3-benzotriazole

Database identifiers

PubChem CID: 388089
ChEMBL: CHEMBL1965798

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 39.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 323

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Compound notes

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