Etacrynic acid impurity A

CAS:1217-67-0

SKU： NCC.1217.67.0 分类： United States Pharmacopeia

保证安全结账

描述

CAS Registry Number^®

1217-67-0

CAS Name

2-[2,3-Dichloro-4-(1-oxobutyl)phenoxy]acetic acid

Molecular Formula

C₁₂H₁₂Cl₂O₄

Molecular Mass

291.13

Compound Properties

Melting Point (1)

110-111 °C

Source(s)

(1) Schultz, Everett M.; BE639727, 1964, CAplus

Other Names and Identifiers

InChI

InChI=1S/C12H12Cl2O4/c1-2-3-8(15)7-4-5-9(12(14)11(7)13)18-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)

InChIKey

InChIKey=FQAYODYTZPXLRH-UHFFFAOYSA-N

SMILES

C(CCC)(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1

Canonical SMILES

O=C(O)COC1=CC=C(C(=O)CCC)C(Cl)=C1Cl

Other Names for this Substance

Acetic acid, 2-[2,3-dichloro-4-(1-oxobutyl)phenoxy]-
Acetic acid, (4-butyryl-2,3-dichlorophenoxy)-
Acetic acid, [2,3-dichloro-4-(1-oxobutyl)phenoxy]-
2-[2,3-Dichloro-4-(1-oxobutyl)phenoxy]acetic acid
(2,3-Dichloro-4-butyrylphenoxy)acetic acid
2-(4-Butanoyl-2,3-dichlorophenoxy)acetic acid