2-(4-nitrophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid
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2-(4-nitrophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid
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CAS No:
854738-30-0
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Formula:
C9H6N4O5
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Chemical Name:
2-(4-nitrophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid
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Synonyms:
2-(4-nitrophenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylic acid; 2,4-DIFLUOROPHENYLACETONITRILE; 2,5-Dihydro-1-(4-nitrophenyl)-5-oxo-1H-1,2,4-triazole-3-carboxylic acid;
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CAS No:
2-(4-nitrophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid Basic Attributes
250.16800
250.03381930
DTXSID60332652
2933990090
Computed Properties
Molecular Weight:250.17
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:250.03381930
Monoisotopic Mass:250.03381930
Topological Polar Surface Area:128
Heavy Atom Count:18
Complexity:421
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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