(αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanoicAcid
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(αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanoicAcid
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CAS No:
483340-19-8
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Formula:
C13H13F2N3O3
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Chemical Name:
(αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanoicAcid
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Synonyms:
(αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanoic Acid;4-triazole-1-butanoic Acid;Isavuconazole interMediate 4;(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanoic acid;(alphaR,betaR)-beta-(2,5-Difluorophenyl)-beta-hydroxy-alpha-methyl-1H-1,2,4-triazole-1-butanoic Acid;1H-1,2,4-Triazole-1-butanoic acid, β-(2,5-difluorophenyl)-β-hydroxy-α-methyl-, (αR,βR)-;(αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid;(αR
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CAS No:
(αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanoicAcid Basic Attributes
297.26
297.09249761
Characteristics
1.43±0.1 g/cm3
191-193 °C(Solv: methanol (67-56-1))
519.9±60.0 °C(Predicted)
3.89±0.23
Computed Properties
Molecular Weight:297.26
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:297.09249761
Monoisotopic Mass:297.09249761
Topological Polar Surface Area:88.2
Heavy Atom Count:21
Complexity:388
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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