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Home > Fluorides > 141113-41-9
141113-41-9 | 1,2-Propanediol, 2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)-, (2R)-
CAS No: 141113-41-9 Catalog No: AG001FXW MDL No:
Product Description
Catalog Number:
AG001FXW
Chemical Name:
1,2-Propanediol, 2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)-, (2R)-
CAS Number:
141113-41-9
Molecular Formula:
C11H11F2N3O2
Molecular Weight:
255.2207
IUPAC Name:
(2R)-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
InChI:
InChI=1S/C11H11F2N3O2/c12-8-1-2-9(10(13)3-8)11(18,5-17)4-16-7-14-6-15-16/h1-3,6-7,17-18H,4-5H2/t11-/m1/s1
InChI Key:
BZYVJTMKMDGJRN-LLVKDONJSA-N
SMILES:
OC[C@@](c1ccc(cc1F)F)(Cn1cncn1)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.225g/mol
Monoisotopic Mass:
255.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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