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61354-99-2

Basic Information
CAS No.: 61354-99-2
Name: 2-(3-tert-Butyl-4-hydroxyphenoxy)-N-(4-chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)myristamide
Molecular Structure:
Molecular Structure of 61354-99-2 (2-(3-tert-Butyl-4-hydroxyphenoxy)-N-(4-chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)myristamide)
Formula: C39H48Cl4N4O4
Molecular Weight: 778.63
Synonyms: N-(4-Chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)-2-(3-(1,1-dimethylethyl)-4-hydroxyphenoxy)-tetradecanamide;
EINECS: 262-731-3
Density: 1.28 g/cm3
PSA: 103.26000
LogP: 11.80930
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Chemistry

IUPAC Name: 2-(3-tert-Butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]tetradecanamide
Synonyms of 2-(3-tert-Butyl-4-hydroxyphenoxy)-N-(4-chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)myristamide (CAS NO.61354-99-2): N-(4-Chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)-2-(3-(1,1-dimethylethyl)-4-hydroxyphenoxy)-tetradecanamide
CAS NO: 61354-99-2
Molecular Formula: C39H48Cl4N4O4
Molecular Weight: 778.63
Molecular Structure:
EINECS: 262-731-3
H bond acceptors: 8
H bond donors: 3
Freely Rotating Bonds: 19
Polar Surface Area: 74.68 Å2
Index of Refraction: 1.598
Molar Refractivity: 207.35 cm3
Molar Volume: 607 cm3
Surface Tension: 44.8 dyne/cm
Density: 1.28 g/cm3 
SMILES: O=C(Nc1cc(c(Cl)cc1)N/C3=N/N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C3)C(Oc4cc(c(O)cc4)C(C)(C)C)CCCCCCCCCCCC
InChI: InChI=1/C39H48Cl4N4O4/c1-5-6-7-8-9-10-11-12-13-14-15-34(51-27-17-19-33(48)28(23-27)39(2,3)4)38(50)44-26-16-18-29(41)32(22-26)45-35-24-36(49)47(46-35)37-30(42)20-25(40)21-31(37)43/h16-23,34,48H,5-15,24H2,1-4H3,(H,44,50)(H,45,46)
InChIKey: JQADLJKVUIDLRH-UHFFFAOYAM
Std. InChI: InChI=1S/C39H48Cl4N4O4/c1-5-6-7-8-9-10-11-12-13-14-15-34(51-27-17-19-33(48)28(23-27)39(2,3)4)38(50)44-26-16-18-29(41)32(22-26)45-35-24-36(49)47(46-35)37-30(42)20-25(40)21-31(37)43/h16-23,34,48H,5-15,24H2,1-4H3,(H,44,50)(H,45,46)
Std. InChIKey: JQADLJKVUIDLRH-UHFFFAOYSA-N 
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