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CAS No.: | 63089-83-8 |
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Name: | 2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4,5-dihydro-4-(1-naphthylazo)-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]myristamide |
Molecular Structure: | |
Formula: | C49H54Cl4N6O4 |
Molecular Weight: | 932.80 |
Synonyms: | Tetradecanamide,N-[4-chloro-3-[[4,5-dihydro-4-(1-naphthalenylazo)-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-[3-(1,1-dimethylethyl)-4-hydroxyphenoxy]-(9CI);2-(3-tert-Butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4-naphthalen-1-yldiazenyl-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]tetradecanamide; |
EINECS: | 263-848-2 |
Density: | 1.29 g/cm3 |
PSA: | 127.98000 |
LogP: | 14.72490 |
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IUPAC Name: 2-(3-tert-Butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4-naphthalen-1-yldiazenyl-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-4-(1-naphthylazo)-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)myristamide (CAS NO.63089-83-8): Tetradecanamide, N-(4-chloro-3-((4,5-dihydro-4-(1-naphthalenylazo)-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)-2-(3-(1,1-dimethylethyl)-4-hydroxyphenoxy)- ; Tetradecanamide, N-(4-chloro-3-((4,5-dihydro-4-(2-(1-naphthalenyl)diazenyl)-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)-2-(3-(1,1-dimethylethyl)-4-hydroxyphenoxy)-
CAS NO: 63089-83-8
Molecular Formula: C49H54Cl4N6O4
Molecular Weight: 932.80
Molecular Structure:
EINECS: 263-848-2
H bond acceptors: 10
H bond donors: 3
Freely Rotating Bonds: 21
Polar Surface Area: 99.4 Å2
Index of Refraction: 1.625
Molar Refractivity: 254.45 cm3
Molar Volume: 719.3 cm3
Surface Tension: 47.3 dyne/cm
Density: 1.29 g/cm3
SMILES: O=C(Nc1cc(c(Cl)cc1)N/C5=N/N(c2c(Cl)cc(Cl)cc2Cl)C(=O)C5/N=N/c4c3ccccc3ccc4)C(Oc6cc(c(O)cc6)C(C)(C)C)CCCCCCCCCCCC
InChI: InChI=1/C49H54Cl4N6O4/c1-5-6-7-8-9-10-11-12-13-14-22-43(63-34-24-26-42(60)36(30-34)49(2,3)4)47(61)54-33-23-25-37(51)41(29-33)55-46-44(57-56-40-21-17-19-31-18-15-16-20-35(31)40)48(62)59(58-46)45-38(52)27-32(50)28-39(45)53/h15-21,23-30,43-44,60H,5-14,22H2,1-4H3,(H,54,61)(H,55,58)/b57-56+
InChIKey: RHQHOPSBCPLMEI-ZKYIHRRIBF
Std. InChI: InChI=1S/C49H54Cl4N6O4/c1-5-6-7-8-9-10-11-12-13-14-22-43(63-34-24-26-42(60)36(30-34)49(2,3)4)47(61)54-33-23-25-37(51)41(29-33)55-46-44(57-56-40-21-17-19-31-18-15-16-20-35(31)40)48(62)59(58-46)45-38(52)27-32(50)28-39(45)53/h15-21,23-30,43-44,60H,5-14,22H2,1-4H3,(H,54,61)(H,55,58)/b57-56+
Std. InChIKey: RHQHOPSBCPLMEI-ZKYIHRRISA-N