2-bromo-3-(4-nitrophenyl)propanoic acid
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2-bromo-3-(4-nitrophenyl)propanoic acid
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CAS No:
18910-12-8
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Formula:
C9H8BrNO4
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Chemical Name:
2-bromo-3-(4-nitrophenyl)propanoic acid
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Synonyms:
2-bromo-3-(4-nitrophenyl)propanoic acid;18910-12-8;NSC101125;SCHEMBL2438048;4-nitro-benzyl bromoacetic acid;DTXSID50295308;NSC-101125
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CAS No:
2-bromo-3-(4-nitrophenyl)propanoic acid Basic Attributes
274.07 g/mol
272.96367 g/mol
101125
DTXSID50295308
Drug Information
2-Bromo-3-(4-nitrophenyl)propanoic acid has known human metabolites that include 2-(glutathion-S-yl)-3-(4-nitrophenyl)propanoic acid.
Computed Properties
Molecular Weight:274.07
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:272.96367
Monoisotopic Mass:272.96367
Topological Polar Surface Area:83.1
Heavy Atom Count:15
Complexity:245
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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