3-(2-CHLOROPHENYL)-N-[(E)-1,2-DICYANO-2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHENYL]-5-METHYL-4-ISOXAZOLECARBOXAMIDE
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![3-(2-CHLOROPHENYL)-N-[(E)-1,2-DICYANO-2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHENYL]-5-METHYL-4-ISOXAZOLECARBOXAMIDE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9a05a8337b514f5dba0e071704631ef3.png "3-(2-CHLOROPHENYL)-N-[(E)-1,2-DICYANO-2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHENYL]-5-METHYL-4-ISOXAZOLECARBOXAMIDE")
3-(2-CHLOROPHENYL)-N-[(E)-1,2-DICYANO-2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHENYL]-5-METHYL-4-ISOXAZOLECARBOXAMIDE
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CAS No:
861210-02-8
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Formula:
C21H16ClN5O2
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Chemical Name:
3-(2-CHLOROPHENYL)-N-[(E)-1,2-DICYANO-2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHENYL]-5-METHYL-4-ISOXAZOLECARBOXAMIDE
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Synonyms:
3-(2-chlorophenyl)-N-[(1E)-1,2-dicyano-2-(2,5-dimethyl-1H-pyrrol-1-yl)eth-1-en-1-yl]-5-methyl-1,2-oxazole-4-carboxamide;3-(2-chlorophenyl)-N-[(E)-1,2-dicyano-2-(2,5-dimethyl-1H-pyrrol-1-yl)ethenyl]-5-methyl-4-isoxazolecarboxamide;ZINC1384367;AKOS005086856;2W-0252
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CAS No:
3-(2-CHLOROPHENYL)-N-[(E)-1,2-DICYANO-2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHENYL]-5-METHYL-4-ISOXAZOLECARBOXAMIDE Basic Attributes
405.84
405.099252
Computed Properties
Molecular Weight:405.8
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:405.0992525
Monoisotopic Mass:405.0992525
Topological Polar Surface Area:108
Heavy Atom Count:29
Complexity:756
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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