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Home > Fluorides > 127000-90-2
127000-90-2 | 1H-1,2,4-Triazole, 1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-
CAS No: 127000-90-2 Catalog No: AG000WJD MDL No:MFCD09833867
Product Description
Catalog Number:
AG000WJD
Chemical Name:
1H-1,2,4-Triazole, 1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-
CAS Number:
127000-90-2
Molecular Formula:
C12H11F2N3O
Molecular Weight:
251.2320
MDL Number:
MFCD09833867
IUPAC Name:
1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
InChI:
InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m0/s1
InChI Key:
QANJLSHZDUOBBP-QPUJVOFHSA-N
SMILES:
Fc1ccc(c(c1)F)[C@]1(Cn2cncn2)O[C@H]1C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
251.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.237g/mol
Monoisotopic Mass:
251.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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