Efavirenz

CAS Registry Number®

154598-52-4
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CAS Name

Efavirenz

Molecular Formula

C14H9ClF3NO2

Molecular Mass

315.67

Cite this Page

Efavirenz.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=154598-52-4 (retrieved 2024-05-20) (CAS RN: 154598-52-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    139-141 °C
  • Density (2)

    1.486 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1

InChIKey

InChIKey=XPOQHMRABVBWPR-ZDUSSCGKSA-N

SMILES

C(#CC1CC1)[C@@]2(C(F)(F)F)C=3C(NC(=O)O2)=CC=C(Cl)C3

Canonical SMILES

O=C1OC(C#CC2CC2)(C3=CC(Cl)=CC=C3N1)C(F)(F)F

Other Names for this Substance

  • 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4S)-
  • 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (S)-
  • 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4S)-
  • (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
  • L 743726

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