Chemical Properties of 4-Chloro-indoleacetic acid methyl ester (CAS 19077-78-2)

4-Chloro-indoleacetic acid methyl ester

InChI
InChI=1S/C11H10ClNO2/c1-15-10(14)5-7-6-13-9-4-2-3-8(12)11(7)9/h2-4,6,13H,5H2,1H3
InChI Key
SYPGJEURLIGNPE-UHFFFAOYSA-N
Formula
C11H10ClNO2
SMILES
COC(=O)Cc1c[nH]c2cccc(Cl)c12
Molecular Weight1
223.66
CAS
19077-78-2
Other Names
  • Methyl 4-chloroindolyl-3-acetate
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Physical Properties

Property Value Unit Source
ω 0.5678 Relay (1.0) Calculated Property
ΔfG° -38.08 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -275.73 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 88.49 kJ/mol Relay (1.0) Calculated Property
IE 7.60 eV Relay (1.0) Calculated Property
log10WS -3.39 Relay (1.0) Calculated Property
logPoct/wat 2.055 Crippen Calculated Property
McVol 156.590 ml/mol McGowan Calculated Property
Pc 3136.66 kPa Relay (1.0-beta) Calculated Property
Tboil 603.59 K Relay (1.0) Calculated Property
Tc 878.75 K Relay (1.0) Calculated Property
Tfus 370.13 K Relay (1.0) Calculated Property
Vc 0.566 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

1H-Indole-3-acetic acid, methyl ester. 5-Hydroxyindoleacetic acid, methyl. 1H-Indole-3-acetic acid, ethyl ester. Indole-3-acetic acid, 4-chloro-2-methyl-. Tryptophan, methyl, 1-PFP. Tropanyl indole-3-lactate. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Ceftazidime. norbormide. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Glyceollin III, TMS. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. Glyceollin V, TMS.

Find more compounds similar to 4-Chloro-indoleacetic acid methyl ester.

Sources

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