Chemical Properties of 2,6-Pyridinedicarboxylic acid, 4-bromo-2-methoxybenzyl ethyl ester

2,6-Pyridinedicarboxylic acid, 4-bromo-2-methoxybenzyl ethyl ester

InChI
InChI=1S/C17H16BrNO5/c1-3-23-16(20)13-5-4-6-14(19-13)17(21)24-10-11-7-8-12(18)9-15(11)22-2/h4-9H,3,10H2,1-2H3
InChI Key
SVWSOOFMJHVKHH-UHFFFAOYSA-N
Formula
C17H16BrNO5
SMILES
CCOC(=O)c1cccc(C(=O)OCc2ccc(Br)cc2OC)n1
Molecular Weight1
394.22
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Physical Properties

Property Value Unit Source
ω 0.8758 Relay (1.0) Calculated Property
ΔfG° -302.39 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -628.16 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 105.57 kJ/mol Relay (1.0) Calculated Property
IE 8.08 eV Relay (1.0) Calculated Property
log10WS -4.81 Relay (1.0) Calculated Property
logPoct/wat 3.386 Crippen Calculated Property
McVol 251.100 ml/mol McGowan Calculated Property
Pc 1731.36 kPa Relay (1.0-beta) Calculated Property
Inp 2833.00 NIST
Tboil 685.46 K Relay (1.0) Calculated Property
Tc 925.56 K Relay (1.0) Calculated Property
Tfus 363.59 K Relay (1.0) Calculated Property
Vc 0.909 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2,6-Pyridinedicarboxylic acid, 4-bromo-2-methoxybenzyl pentyl ester. Pyridine-2-carboxylic acid, 4-bromo-2-methoxybenzyl ester. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. 5,6-Dihydrouracil riboside, TMS. Tetrabenazine M (desmethyl-HO-), monoacetylated. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. QUINIDINE, AC. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Doronenine. QUINIDINE, M(N-OXIDE), AC. Poligodial + m-Tyr (ethyl ester) adduct (R,S). Silane, dimethyl-2-propenyl[(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]-, (6ar-trans)-.

Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 4-bromo-2-methoxybenzyl ethyl ester.

Sources

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