3-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/45bdc3cf8d9342ee9b7b51dfff569218.png "3-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
728897-51-6
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Formula:
C18H13Br2N3O4
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Chemical Name:
3-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3272414;AKOS002503320;MCULE-1661061135;Z19630309;3-{[(2,6-dibromo-4-methylphenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;728897-51-6
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CAS No:
3-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
495.1 g/mol
494.92523 g/mol
Computed Properties
Molecular Weight:495.1
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:494.92523
Monoisotopic Mass:492.92728
Topological Polar Surface Area:99.1
Heavy Atom Count:27
Complexity:645
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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