Chemical Properties of 2-Methoxy-5-(4-nitrophenyl)-1,3,4-oxadiazole (CAS 102925-87-1)

2-Methoxy-5-(4-nitrophenyl)-1,3,4-oxadiazole

InChI
InChI=1S/C9H7N3O4/c1-15-9-11-10-8(16-9)6-2-4-7(5-3-6)12(13)14/h2-5H,1H3
InChI Key
YKGDYDUGVHEJSG-UHFFFAOYSA-N
Formula
C9H7N3O4
SMILES
COc1nnc(-c2ccc([N+](=O)[O-])cc2)o1
Molecular Weight1
221.17
CAS
102925-87-1
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Physical Properties

Property Value Unit Source
ω 0.6567 Relay (1.0) Calculated Property
ΔfG° 230.41 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -25.11 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 100.47 kJ/mol Relay (1.0) Calculated Property
IE 9.55 eV Relay (1.0) Calculated Property
log10WS -3.23 Relay (1.0) Calculated Property
logPoct/wat 1.653 Crippen Calculated Property
McVol 143.570 ml/mol McGowan Calculated Property
Pc 3955.86 kPa Relay (1.0-beta) Calculated Property
Tboil 584.26 K Relay (1.0) Calculated Property
Tc 867.26 K Relay (1.0) Calculated Property
Tfus 374.45 K Relay (1.0) Calculated Property
Vc 0.554 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2-Phenyl-5-methoxy-oxadiazol-1,3,4. 2-(4-Chlorophenyl)-5-methoxy-1,3,4-oxadiazole. 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole. 2,5-Bis(p-(dimethylamino)phenyl)-1,3,4-oxadiazole. Androst-5-ene-17,17-ethylenedioxy-3b-hydroxy-,p-nitrobenzoate. Azatadine M (nor, OH), acetylated. Azatadine M (OH), acetylated. 5-Cyclo-5alpha-androstan-6beta-ol, 17-ethylenedioxy-3alpha, p-nitrobenzoate. Hispaglabridin A. propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. «delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. (R)-1-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol. Mifepristone. Mirtazapine. Ipanguline B1.

Find more compounds similar to 2-Methoxy-5-(4-nitrophenyl)-1,3,4-oxadiazole.

Sources

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