3-[2-(2-bromoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-(2-bromoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3a844656bec04b60b198e0ff34799858.png "3-[2-(2-bromoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-(2-bromoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
519049-84-4
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Formula:
C17H12BrN3O4
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Chemical Name:
3-[2-(2-bromoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3234125;AKOS002502562;MCULE-4691670470;AB00713069-01;SR-01000033409;SR-01000033409-1;Z19630247;3-{[(2-bromophenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;519049-84-4
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CAS No:
3-[2-(2-bromoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Basic Attributes
402.2 g/mol
401.00112 g/mol
Computed Properties
Molecular Weight:402.2
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:401.00112
Monoisotopic Mass:401.00112
Topological Polar Surface Area:99.1
Heavy Atom Count:25
Complexity:594
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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