Identidad

Afoxolaner Impurity 29

No indicado · C26H17BrF9N3O3

01Identidad

Lazychem ID	LC-41669
CAS RN	No indicado
PubChem CID	25154285
Molecular formula	C26H17BrF9N3O3
Molecular weight	670.3 g/mol
IUPAC name	4-[5-[3-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
InChIKey	SZXQYYXYYFGXSV-UHFFFAOYSA-N

02Estructura y estereoquímica

Two-dimensional chemical structure of Afoxolaner Impurity 29 — 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	C1C(=NOC1(C2=CC(=CC(=C2)Br)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F
InChI	No indicado

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres1Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 2Before 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.