3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
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![3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0ef3b984fd0b436c9d80274286a9655b.png "3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid")
3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
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CAS No:
6322-36-7
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Formula:
C17H14BrNO5
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Chemical Name:
3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
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Synonyms:
3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid;6322-36-7;NSC32211;DTXSID30283586;NSC-32211
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CAS No:
3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid Basic Attributes
392.2 g/mol
391.00554 g/mol
32211
DTXSID30283586
Computed Properties
Molecular Weight:392.2
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:391.00554
Monoisotopic Mass:391.00554
Topological Polar Surface Area:100
Heavy Atom Count:24
Complexity:466
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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