8-Hydroxyefavirenz

CAS Registry Number®

205754-33-2
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CAS Name

8-Hydroxyefavirenz

Molecular Formula

C14H9ClF3NO3

Molecular Mass

331.67

Cite this Page

8-Hydroxyefavirenz.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=205754-33-2 (retrieved 2024-07-07) (CAS RN: 205754-33-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    171-172 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=OOVOMPCQLMFEDT-ZDUSSCGKSA-N

SMILES

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

Canonical SMILES

O=C1OC(C#CC2CC2)(C=3C=C(Cl)C=C(O)C3N1)C(F)(F)F

Other Names for this Substance

  • 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-, (4S)-
  • 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-, (4S)-
  • (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
  • 8-Hydroxyefavirenz
  • (4S)-6-Chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one