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Product Overview

Product Code

TRC-H805345

CAS Number

252343-24-1

Product Format

Neat

Molecular Formula

C14H9ClF3NO3

Molecular Weight

331.67

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

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Product Information

Chemical Data

Analyte Name

(S)-7-Hydroxy Efavirenz

CAS Number

252343-24-1

Molecular Formula

C14H9ClF3NO3

Molecular Weight

331.67

Accurate Mass

331.0223

SMILES

Oc1cc2NC(=O)O[C@@](C#CC3CC3)(c2cc1Cl)C(F)(F)F

InChI

InChI=1S/C14H9ClF3NO3/c15-9-5-8-10(6-11(9)20)19-12(21)22-13(8,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)/t13-/m0/s1

IUPAC

(4S)-6-chloro-4-(2-cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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