Azonosítás

(+-)-Coumachlor

Nincs megadva · C19H15ClO4

01Azonosítás

Lazychem IDLC-57613
CAS RNNincs megadva
PubChem CID54682651
Molecular formulaC19H15ClO4
Molecular weight342.8 g/mol
IUPAC name3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxychromen-2-one
InChIKeyDEKWZWCFHUABHE-UHFFFAOYSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 54682651
Two-dimensional chemical structure of (+-)-Coumachlor
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
SMILESCC(=O)CC(C1=CC=C(C=C1)Cl)C2=C(C3=CC=CC=C3OC2=O)O
InChINincs megadva

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Indiai státusz

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nevek és kapcsolatok

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