3-[2-(4-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-(4-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/428ca67f7c544ee8942353fb9598bc49.png "3-[2-(4-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-(4-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
728899-78-3
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Formula:
C17H12ClN3O4
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Chemical Name:
3-[2-(4-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3274223;AKOS002502651;MCULE-9808823259;NCGC00281847-01;AB01282531-01;Z19630131;3-{[(4-chlorophenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;728899-78-3
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CAS No:
3-[2-(4-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
357.7 g/mol
357.0516336 g/mol
Computed Properties
Molecular Weight:357.7
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:357.0516336
Monoisotopic Mass:357.0516336
Topological Polar Surface Area:99.1
Heavy Atom Count:25
Complexity:586
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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