Identitet

Difenoconazole Impurity 1

Ikke angivet · C20H19Cl2N3O3

01Identitet

Lazychem ID	LC-40794
CAS RN	Ikke angivet
PubChem CID	49848710
Molecular formula	C20H19Cl2N3O3
Molecular weight	420.3 g/mol
IUPAC name	1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
InChIKey	FFVXOZCQKGDMFL-UHFFFAOYSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Difenoconazole Impurity 1 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	CCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
InChI	Ikke angivet

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres2Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.