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126916-57-2 | 1H-1,2,4-Triazole-1-ethanol, α-[(1R)-1-aminoethyl]-α-(2,4-difluorophenyl)-, (αR)-rel-
CAS No: 126916-57-2 Catalog No: AG000TH2 MDL No:MFCD09833869
Product Description
Catalog Number:
AG000TH2
Chemical Name:
1H-1,2,4-Triazole-1-ethanol, α-[(1R)-1-aminoethyl]-α-(2,4-difluorophenyl)-, (αR)-rel-
CAS Number:
126916-57-2
Molecular Formula:
C12H14F2N4O
Molecular Weight:
268.2626
MDL Number:
MFCD09833869
IUPAC Name:
(2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
InChI:
InChI=1S/C12H14F2N4O/c1-8(15)12(19,5-18-7-16-6-17-18)10-3-2-9(13)4-11(10)14/h2-4,6-8,19H,5,15H2,1H3/t8-,12-/m1/s1
InChI Key:
WLRHCBVCBRGQHN-PRHODGIISA-N
SMILES:
Fc1ccc(c(c1)F)[C@]([C@H](N)C)(Cn1cncn1)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
268.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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