Chemical Properties of 2-Chlorobenzo[b]thiophene-3-acetonitrile (CAS 157549-49-0)

2-Chlorobenzo[b]thiophene-3-acetonitrile

InChI
InChI=1S/C10H6ClNS/c11-10-8(5-6-12)7-3-1-2-4-9(7)13-10/h1-4H,5H2
InChI Key
CBWNFQCLFYLDJQ-UHFFFAOYSA-N
Formula
C10H6ClNS
SMILES
N#CCc1c(Cl)sc2ccccc12
Molecular Weight1
207.68
CAS
157549-49-0
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Physical Properties

Property Value Unit Source
ω 0.5049 Relay (1.0) Calculated Property
ΔfG° 271.66 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 252.34 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 82.40 kJ/mol Relay (1.0) Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
log10WS -4.46 Relay (1.0) Calculated Property
logPoct/wat 3.621 Crippen Calculated Property
McVol 142.810 ml/mol McGowan Calculated Property
Pc 3164.56 kPa Relay (1.0-beta) Calculated Property
Tboil 605.11 K Relay (1.0) Calculated Property
Tc 887.64 K Relay (1.0) Calculated Property
Tfus 391.05 K Relay (1.0) Calculated Property
Vc 0.501 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Thianaphthene-3-acetonirile. Thianaphthene-3-acetic acid. Benzo[b]thiophene-3-ethylamine, alpha-methyl-. Dibenzothiophene, 1,2,3,4-tetrahydro-. 5-Chlorobenzo[b]thiophene-3-acetic acid. acenaphtho[4,3-b]benzo[d]thiophene. Acenaphtho[4,3-b]thiophene. Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6-dimethyl-7,7-tetramethylene. 5-Hydroxytryptophan, methyl, 2-PFP. (E)-Cnidimine. (Z)-Cnidimine. Edulisin III. cannabinolic acid, n-butyl-boronate. propyl-cannabinolic acid, n-butyl-boronate. 5-Hydroxytryptophan, methyl, 3-PFP.

Find more compounds similar to 2-Chlorobenzo[b]thiophene-3-acetonitrile.

Sources

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