Chemical Properties of Letrozole (CAS 112809-51-5)

Letrozole

InChI
InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
InChI Key
HPJKCIUCZWXJDR-UHFFFAOYSA-N
Formula
C17H11N5
SMILES
N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1
Molecular Weight1
285.30
CAS
112809-51-5
Other Names
  • Femara
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Physical Properties

Property Value Unit Source
ω 0.6710 Relay (1.0) Calculated Property
Δf 662.79 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas 642.12 kJ/mol Relay (1.0) Calculated Property
Δvap 115.73 kJ/mol Relay (1.0) Calculated Property
IE 9.63 eV Relay (1.0) Calculated Property
log10WS -5.16 Relay (1.0) Calculated Property
logPoct/wat 2.659 Crippen Calculated Property
McVol 216.110 ml/mol McGowan Calculated Property
Pc 3290.81 kPa Relay (1.0-beta) Calculated Property
Tboil 696.86 K Relay (1.0) Calculated Property
Tc 1051.70 K Relay (1.0) Calculated Property
Tfus 484.03 K Relay (1.0) Calculated Property
Vc 0.779 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Inabenfide, tert-butyldimethylsilyl ether. Cobalt,bis[(1,2,3,4,5,6-«eta»)-1-phenylboratabenzene]-. Inabenfide, N,O-bis(tert-butyldimethylsilyl)-. 11-Ketoestradiol (enol), TMS. Sodium penicillin g. Sterigmatocystin, O-tert.-butyldimethylsilyl-. 11B-Hydroxyoestradiol, TMS. B-Pseudouridine riboside, TMS. Tryptophan, N-acetyl-5-methoxy, TMS. Imidazole-5-formamide, n,1-dibenzyl-4-(n-benzylformamido)-. (E)-Eruciflorine. Glyceollin III, TMS. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Tazettine.

Find more compounds similar to Letrozole.

Sources

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