3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4aad9f968ff8497290ca5dfdd2f8df75.png "3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
728893-31-0
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Formula:
C19H11F6N3O4
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Chemical Name:
3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3271886;MCULE-9582531489;AB00717032-01;Z19630038;3-({[3,5-bis(trifluoromethyl)phenyl]carbamoyl}methyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;728893-31-0
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CAS No:
3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
459.3 g/mol
459.06537481 g/mol
Computed Properties
Molecular Weight:459.3
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:459.06537481
Monoisotopic Mass:459.06537481
Topological Polar Surface Area:99.1
Heavy Atom Count:32
Complexity:775
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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