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Details

Stereochemistry MIXED
Molecular Formula C15H11ClF3NO2
Molecular Weight 329.702
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL EFAVIRENZ

SMILES

CC1CC1C#C[C@@]2(OC(=O)NC3=CC=C(Cl)C=C23)C(F)(F)F

InChI

InChIKey=VTRDGEWILKMMRP-CTCYHXBNSA-N
InChI=1S/C15H11ClF3NO2/c1-8-6-9(8)4-5-14(15(17,18)19)11-7-10(16)2-3-12(11)20-13(21)22-14/h2-3,7-9H,6H2,1H3,(H,20,21)/t8?,9?,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H11ClF3NO2
Molecular Weight 329.702
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
GS9U39RG71
Record Status Validated (UNII)
Record Version