Chemical Properties of 5-Nitrobenzisoxazole (CAS 39835-28-4)

5-Nitrobenzisoxazole

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InChI
InChI=1S/C7H4N2O3/c10-9(11)6-1-2-7-5(3-6)4-8-12-7/h1-4H
InChI Key
TWOYWCWKYDYTIP-UHFFFAOYSA-N
Formula
C7H4N2O3
SMILES
O=[N+]([O-])c1ccc2oncc2c1
Molecular Weight1
164.12
CAS
39835-28-4
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Physical Properties

Property Value Unit Source
ω 0.5702 Relay (... Calculated Property
ΔfG° 222.77 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas 118.67 kJ/mol Relay (... Calculated Property
ΔvapH° 79.68 kJ/mol Relay (... Calculated Property
IE 9.85 eV Relay (... Calculated Property
log10WS -2.68 Relay (... Calculated Property
logPoct/wat 1.736 Crippen Calculated Property
McVol 103.840 ml/mol McGowan Calculated Property
Pc 5042.28 kPa Relay (... Calculated Property ⚠️
Tboil 574.74 K Relay (... Calculated Property
Tc 858.09 K Relay (... Calculated Property
Tfus 426.46 K Relay (... Calculated Property
Vc 0.398 m3/kmol Relay (... Calculated Property

Similar Compounds

1,2-Benzisoxazole. 2-Acetyl-5-nitrobenzo[b]furan. 2-Isopropenyl-2,3-dihydrofuro[3,2-g]chromen-7-one. 5-Methoxytryptamine, iso-BOC. (.+/-.)-Marmesin. 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-. 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. Tetrahydrocannabinol. Mirtazapine. cannabinolic acid, n-butyl-boronate. Riboflavin, 2',3',4',5'-tetraacetate. Mebhydroline M (nor, OH), acetylated. Quebrachamine. Trp isoBOC TBDMS. Aflatoxin B2.

Find more compounds similar to 5-Nitrobenzisoxazole.

Sources

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