4-oxo-3-[2-oxo-2-(2,3,5,6-tetrachloroanilino)ethyl]phthalazine-1-carboxylic acid
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![4-oxo-3-[2-oxo-2-(2,3,5,6-tetrachloroanilino)ethyl]phthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/05cb7048fd154b1fbed1dbe6db0f70ef.png "4-oxo-3-[2-oxo-2-(2,3,5,6-tetrachloroanilino)ethyl]phthalazine-1-carboxylic acid")
4-oxo-3-[2-oxo-2-(2,3,5,6-tetrachloroanilino)ethyl]phthalazine-1-carboxylic acid
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CAS No:
796093-25-9
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Formula:
C17H9Cl4N3O4
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Chemical Name:
4-oxo-3-[2-oxo-2-(2,3,5,6-tetrachloroanilino)ethyl]phthalazine-1-carboxylic acid
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Synonyms:
ZINC3343991;MCULE-5705428851;Z19628954;4-oxo-3-{[(2,3,5,6-tetrachlorophenyl)carbamoyl]methyl}-3,4-dihydrophthalazine-1-carboxylic acid;796093-25-9
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CAS No:
4-oxo-3-[2-oxo-2-(2,3,5,6-tetrachloroanilino)ethyl]phthalazine-1-carboxylic acid Basic Attributes
461.1 g/mol
460.931766 g/mol
Computed Properties
Molecular Weight:461.1
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:460.931766
Monoisotopic Mass:458.934717
Topological Polar Surface Area:99.1
Heavy Atom Count:28
Complexity:677
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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