4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylic acid
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![4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ef330b512d234b4599f42bf672d23231.png "4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylic acid")
4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylic acid
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CAS No:
728892-65-7
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Formula:
C18H12F3N3O4
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Chemical Name:
4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylic acid
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Synonyms:
ZINC3271731;AKOS002503346;MCULE-1817238223;Z19629951;4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3,4-dihydrophthalazine-1-carboxylic acid;728892-65-7
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CAS No:
4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylic acid Basic Attributes
391.3 g/mol
391.07799036 g/mol
Computed Properties
Molecular Weight:391.3
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:391.07799036
Monoisotopic Mass:391.07799036
Topological Polar Surface Area:99.1
Heavy Atom Count:28
Complexity:680
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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