Return to Results Efavirenz
CAS Registry Number®
154598-52-4
CAS Name
EfavirenzMolecular Formula
C14H9ClF3NO2Molecular Mass
315.67Cite this Page
Efavirenz. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=154598-52-4 (retrieved ) (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 °CDensity (2)
1.486 g/cm³
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
- (2) Marques, Marcelo M.; Journal of Molecular Structure, (2017), 1137, 476-484, CAplus
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
