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356068-93-4

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Basic Information
CAS No.: 356068-93-4
Name: 5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
Article Data: 26
Molecular Structure:
Molecular Structure of 356068-93-4 (5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid)
Formula: C16H13FN2O3
Molecular Weight: 300.289
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-;
EINECS: 1592732-453-0
Density: 1.454 g/cm3
Melting Point: 320 °C (decomp)
Boiling Point: 588.448 °C at 760 mmHg
Flash Point: 309.683 °C
PSA: 82.19000
LogP: 3.09950
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Chemistry

 
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

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- .