3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
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![3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7676e5161eb742d5b543f96e041a8399.png "3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid")
3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
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CAS No:
68979-78-2
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Formula:
C11H10BrN3O2
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Chemical Name:
3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
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Synonyms:
68979-78-2;NSC199000;CHEMBL3278687;1H-1,2,4-Triazole-3-propanoic acid, 5-(3-bromophenyl)-;DTXSID10307956;3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid;ZINC6511588;NSC-199000;DS-004729;3-[5-(3-bromophenyl)-2H-1,2,4-triazol-3-yl]propanoic acid
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CAS No:
3-[3-(3-bromophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid Basic Attributes
296.12 g/mol
294.99564 g/mol
199000
DTXSID10307956
Computed Properties
Molecular Weight:296.12
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:294.99564
Monoisotopic Mass:294.99564
Topological Polar Surface Area:78.9
Heavy Atom Count:17
Complexity:277
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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