Chemical Properties of 3-Chlorobenzo(b)thiophene-2-carboxylic acid (CAS 21211-22-3)

3-Chlorobenzo(b)thiophene-2-carboxylic acid

InChI
InChI=1S/C9H5ClO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
InChI Key
HJTMIYKPPPYDRJ-UHFFFAOYSA-N
Formula
C9H5ClO2S
SMILES
O=C(O)c1sc2ccccc2c1Cl
Molecular Weight1
212.65
CAS
21211-22-3
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Physical Properties

Property Value Unit Source
ω 0.6901 Relay (1.0) Calculated Property
ΔfG° -148.60 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -238.88 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 97.18 kJ/mol Relay (1.0) Calculated Property
IE 8.45 eV Relay (1.0) Calculated Property
log10WS -3.31 Relay (1.0) Calculated Property
logPoct/wat 3.253 Crippen Calculated Property
McVol 134.780 ml/mol McGowan Calculated Property
Pc 4031.25 kPa Relay (1.0-beta) Calculated Property
Tboil 610.07 K Relay (1.0) Calculated Property
Tc 917.59 K Relay (1.0) Calculated Property
Tfus 442.68 K Relay (1.0) Calculated Property
Vc 0.477 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3-Chlorobenzo[b]thiophene-2-carbonyl chloride. Thianaphthene-2-carboxylic acid. Methyl benzo[b]thiophene-2-carboxylate. Thianaphthene-2-carbonyl chloride. cannabinolic acid, n-butyl-boronate. propyl-cannabinolic acid, n-butyl-boronate. Biotin, TMS. 3'-dihydrocinnamoylindicine. Deuteroporphyrin-IX dimethyl ester, bis(trimethylsiloxy)silicon(IV) derivative. Bufotalin. Androst-1,4-dien-2z-hydroxymethyl-17«alpha»-methyl-11«alpha»,17«beta»-diol-3-one, TMS. Mirtazapine-M (nor-HO-) 2AC. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (HO-) AC. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate].

Find more compounds similar to 3-Chlorobenzo(b)thiophene-2-carboxylic acid.

Sources

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