CHEMBRDG-BB 5991569
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CHEMBRDG-BB 5991569
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CAS No:
491831-82-4
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Formula:
C12H11N3O4
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Chemical Name:
CHEMBRDG-BB 5991569
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Synonyms:
CHEMBRDG-BB 5991569;3-[(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)METHYL]BENZOIC ACID;ART-CHEM-BB B035784;VITAS-BB TBB001204;3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid(SALTDATA: FREE)
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CAS No:
Computed Properties
Molecular Weight:261.23
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:261.07495584
Monoisotopic Mass:261.07495584
Topological Polar Surface Area:101
Heavy Atom Count:19
Complexity:357
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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