racMethylEfavirenz
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racMethylEfavirenz
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CAS No:
353270-76-5
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Formula:
C15H11ClF3NO2
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Chemical Name:
racMethylEfavirenz
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Synonyms:
Methyl Efavirenz (Mixture of Diastereomers);6-Chloro-1,4-dihydro-4-[2-(2-methylcyclopropyl)ethynyl]-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one;rac Methyl Efavirenz;SV 997;rac Methyl Efavirenz (Mixture of Diastereomers);Efavirenz Methyl Impurity;2H-3,1-Benzoxazin-2-one, 6-chloro-1,4-dihydro-4-[2-(2-methylcyclopropyl)ethynyl]-4-(trifluoromethyl)-, (4S)-;Methyl Efavirenz
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CAS No:
Characteristics
41.82000
3.76830
1.48±0.1 g/cm3
162-165°C
348.5±42.0 °C(Predicted)
164.551ºC
1.571
10.27±0.40
racMethylEfavirenz Use and Manufacturing
Efavirenz (E425000) potential synthetic impurity and degradation product.
Computed Properties
Molecular Weight:329.70
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:329.0430408
Monoisotopic Mass:329.0430408
Topological Polar Surface Area:38.3
Heavy Atom Count:22
Complexity:552
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes