CHEMBRDG-BB 4002461
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CHEMBRDG-BB 4002461
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CAS No:
876715-37-6
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Formula:
C9H7N3O2
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Chemical Name:
CHEMBRDG-BB 4002461
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Synonyms:
CHEMBRDG-BB 4002461;3-(1H-1,2,4-TRIAZOL-5-YL)BENZOIC ACID;3-(2H-[1,2,4]TRIAZOL-3-YL)-BENZOIC ACID;3-(1H-1,2,4-triazol-5-yl)benzoic acid(SALTDATA: 0.75H2O);3-(1H-1,2,4-triazol-5-yl)benzoic acid 0.75H2O
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CAS No:
Computed Properties
Molecular Weight:189.17
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:189.053826475
Monoisotopic Mass:189.053826475
Topological Polar Surface Area:78.9
Heavy Atom Count:14
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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