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Home > Fluorides > 182230-43-9
182230-43-9 | 4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-
CAS No: 182230-43-9 Catalog No: AG0023HP MDL No:MFCD00865610
Product Description
Catalog Number:
AG0023HP
Chemical Name:
4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number:
182230-43-9
Molecular Formula:
C16H14F3N5O
Molecular Weight:
349.3105
MDL Number:
MFCD00865610
IUPAC Name:
2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
InChI:
InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3
InChI Key:
BCEHBSKCWLPMDN-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)C(C(c1ncncc1F)C)(Cn1cncn1)O
EC Number:
605-961-5
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.115g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.317g/mol
Monoisotopic Mass:
349.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Voriconazole in the management of nosocomial invasive fungal infections. | Therapeutics and clinical risk management 20060601 |
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