Chemical Properties of Benzthiazuron, HFBA

Benzthiazuron, HFBA

InChI
InChI=1S/C14H10F7N3O2S/c1-23(9(25)12(15,16)13(17,18)14(19,20)21)11(26)24(2)10-22-7-5-3-4-6-8(7)27-10/h3-6H,1-2H3
InChI Key
VOHGAKJNHUAGHA-UHFFFAOYSA-N
Formula
C14H10F7N3O2S
SMILES
CN(C(=O)N(C)c1nc2ccccc2s1)C(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
417.30
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Physical Properties

Property Value Unit Source
ω 0.7149 Relay (1.0) Calculated Property
Δf -1213.58 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -1641.92 kJ/mol Relay (1.0) Calculated Property
Δvap 103.34 kJ/mol Relay (1.0) Calculated Property
IE 8.98 eV Relay (1.0) Calculated Property
log10WS -4.91 Relay (1.0) Calculated Property
logPoct/wat 4.144 Crippen Calculated Property
McVol 231.020 ml/mol McGowan Calculated Property
Pc 1677.66 kPa Relay (1.0-beta) Calculated Property
Inp 1959.00 NIST
Tboil 603.50 K Relay (1.0) Calculated Property
Tc 828.52 K Relay (1.0) Calculated Property
Tfus 331.10 K Relay (1.0) Calculated Property
Vc 0.865 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

norbormide. Tazettine. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. 5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Hydroxy-N-methylcytisine. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. 5-«alpha»-Pregnan-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. Pregnan-2,3,20-triol, GlcNAc, MeTMS. 3'-Acetylheliosupine. 7-diacetylintermedine. Rescinnamine. 6-acetyl-3-propionyl-morphine. 3-propionyl-morphine. Brucine.

Find more compounds similar to Benzthiazuron, HFBA.

Sources

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