Home Sulfos (2R,3R)-2-(2,4-Difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)butane-2,3-diol with methanesulfonate

(2R,3R)-2-(2,4-Difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)butane-2,3-diol with methanesulfonate

CAS No.:
1175536-50-1
Catalog Number:
AG0091ZI
Molecular Formula:
C13H17F2N3O5S
Molecular Weight:
365.3530
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Product Description
Catalog Number:
AG0091ZI
Chemical Name:
(2R,3R)-2-(2,4-Difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)butane-2,3-diol with methanesulfonate
CAS Number:
1175536-50-1
Molecular Formula:
C13H17F2N3O5S
Molecular Weight:
365.3530
MDL Number:
MFCD28964178
IUPAC Name:
(2R,3R)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol;methanesulfonic acid
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
InChI Key:
RWPFLARVZWFRBO-DAIXLEOSSA-N
SMILES:
CS(=O)(=O)O.Fc1ccc(c(c1)F)[C@]([C@H](O)C)(Cn1cncn1)O
EC Number:
815-196-0
Properties
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
365.086g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
365.352g/mol
Monoisotopic Mass:
365.086g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties