3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid
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3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid
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CAS No:
162848-24-0
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Formula:
C9H6N4O4
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Chemical Name:
3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid
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Synonyms:
Benzoic acid,3-nitro-4-(1H-1,2,4-triazol-1-yl)-;3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid
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CAS No:
Computed Properties
Molecular Weight:234.17
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:234.03890469
Monoisotopic Mass:234.03890469
Topological Polar Surface Area:114
Heavy Atom Count:17
Complexity:319
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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