Identidade

3AG94J3KR3

Não indicado · C18H14BrFOS

01Identidade

Lazychem IDLC-33577
CAS RNNão indicado
PubChem CID156614148
Molecular formulaC18H14BrFOS
Molecular weight377.3 g/mol
IUPAC name(5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanol
InChIKeyFOEXAJFGENOIPP-UHFFFAOYSA-N

02Estrutura e estereoquímica

2D structurePubChem CID 156614148
Two-dimensional chemical structure of 3AG94J3KR3
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
SMILESCC1=C(C=C(C=C1)Br)C(C2=CC=C(S2)C3=CC=C(C=C3)F)O
InChINão 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.

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.

04Estado na Índia

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

05Nomes e relações

API e fármaco de origem

Não indicado

Nomes e relações

    Impurezas e compostos relacionados

      06Fontes