Identiteet

2-Chloromandelic acid

Pole loetletud · C8H7ClO3

01Identiteet

Lazychem IDLC-117293
CAS RNPole loetletud
PubChem CID97720
Molecular formulaC8H7ClO3
Molecular weight186.59 g/mol
IUPAC name2-(2-chlorophenyl)-2-hydroxyacetic acid
InChIKeyRWOLDZZTBNYTMS-UHFFFAOYSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 97720
Two-dimensional chemical structure of 2-Chloromandelic acid
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
SMILESC1=CC=C(C(=C1)C(C(=O)O)O)Cl
InChIPole loetletud

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

3 records

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.

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.

04Staatus Indias

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

05Nimed ja seosed

API ja lähteravim

Pole loetletud

Nimed ja seosed

    Lisandid ja seotud ühendid

      06Allikad