133775-25-4
(2R,3R)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol
Name(2R,3R)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol
1Identification
【Name】
(2R,3R)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol
【CAS】
【MDL】
【English Synonyms】
【Formula】
C12H13F2N3O2
【MolWeight】
269.2473
【Inchi】
InChI=1S/C12H13F2N3O2/c1-8(18)12(19,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8,18-19H,5H2,1H3/t8-,12-/m1/s1
【InChIKey】
InChIKey=LSCNANBNVFQJDJ-PRHODGIISA-N
【SMILES】
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.cml