1175536-50-1
(2R,3R)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol Mesylate
Name(2R,3R)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol Mesylate
1Identification
【Name】
(2R,3R)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol Mesylate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H17F2N3O5S
【MolWeight】
365.353
【Inchi】
InChI=1S/C12H13F2N3O2.CH4O3S/c1-8(18)12(19,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14;1-5(2,3)4/h2-4,6-8,18-19H,5H2,1H3;1H3,(H,2,3,4)/t8-,12-;/m1./s1
【InChIKey】
InChIKey=RWPFLARVZWFRBO-DAIXLEOSSA-N
【SMILES】
S(C)(=O)(=O)O.FC1=C(C=CC(=C1)F)[C@@](CN1N=CN=C1)([C@@H](C)O)O
【MOL File】
(2R,3R)-2-(2,4-diflu….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
(2R,3R)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol Mesylate.cml