3-[2-(3-bromoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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![3-[2-(3-bromoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/708bdc505293433aa80efbdde23a3aee.png "3-[2-(3-bromoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid")
3-[2-(3-bromoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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CAS No:
728893-16-1
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Formula:
C17H12BrN3O4
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Chemical Name:
3-[2-(3-bromoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
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Synonyms:
MLS001177953;CHEMBL1484928;HMS2889K12;ZINC3271854;AKOS002503431;MCULE-4345228146;NCGC00281804-01;SMR000591156;AB00838737-06;SR-01000039723;SR-01000039723-1;Z19629987;3-{[(3-bromophenyl)carbamoyl]methyl}-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;728893-16-1
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CAS No:
3-[2-(3-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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