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Cas Database |
| Name |
5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid |
EINECS | 1592732-453-0 |
| CAS No. | 356068-93-4 | Density | 1.454 g/cm3 |
| PSA | 82.19000 | LogP | 3.09950 |
| Solubility | N/A | Melting Point |
320 °C (decomp) |
| Formula | C16H13FN2O3 | Boiling Point | 588.448 °C at 760 mmHg |
| Molecular Weight | 300.289 | Flash Point | 309.683 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(3Z)-3-[(3,5-Dimethyl-4-carboxy-1H-pyrrol-2-yl)methylidene]-5-fluoro-1,3-dihydro-2H-indol-2-one;5-(5-Fluoro-2-oxo-1,2-dihydroindol-(3Z)-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylicacid;1H-Pyrrole-3-carboxylicacid,5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-; |
Article Data | 26 |
5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Chemical Properties
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Molecular Formula: C16H13FN2O3
Molecular Weight: 300.28 g/mol
SMILES: O=C(O)c1c(c(nc1C)/C=C3/c2cc(F)ccc2NC3=O)C
InChI: InChI=1/C16H13FN2O3/c1-7-13(18-8(2)14(7)16(21)22)6-11-10-5-9(17)3-4-12(10)19-15(11)20/h3-6,18H,1-2H3,(H,19,20)(H,21,22)/b11-6-
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 2
Polar Surface Area: 82.19
Index of Refraction: 1.69
Molar Refractivity: 78.944 cm3
Molar Volume: 206.452 cm3
Polarizability: 31.296×10-24 cm3
Surface Tension: 66.425 dyne/cm
Density: 1.454 g/cm3
Flash Point: 309.683 °C
Enthalpy of Vaporization: 92.386 kJ/mol
Boiling Point: 588.448 °C at 760 mmHg
Vapour Pressure of 5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CAS NO.356068-93-4): 0 mmHg at 25 °C
5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Specification
5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CAS NO.356068-93-4), its Synonym is 1H-pyrrole-3-carboxylic acid, 5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl- .
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