2-[2-[3-[3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]phenoxy]acetic acid
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![2-[2-[3-[3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]phenoxy]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/de91ff2561a1424b84c31bb3fbd1ecb3.png "2-[2-[3-[3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]phenoxy]acetic acid")
2-[2-[3-[3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]phenoxy]acetic acid
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CAS No:
41388-04-9
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Formula:
C27H27Cl3N2O4
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Chemical Name:
2-[2-[3-[3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]phenoxy]acetic acid
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Synonyms:
Acetic acid,2-[2-[3-[3-heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]phenoxy]-;Acetic acid,[2-[3-[3-heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propenyl]phenoxy]-;2-[2-[3-[3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]phenoxy]acetic acid
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CAS No:
2-[2-[3-[3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]phenoxy]acetic acid Basic Attributes
549.87300
549.87
255-347-2
Computed Properties
Molecular Weight:549.9
XLogP3:8.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:548.103640
Monoisotopic Mass:548.103640
Topological Polar Surface Area:79.2
Heavy Atom Count:36
Complexity:835
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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