Nombre: chlorosulfurous acid 2-(4-trifluoromethoxy-phenyl)-4-trifluoromethyl-pyrimidin-5-ylmethyl ester
SMILES:
O=S(Cl)OCc1cnc(-c2ccc(OC(F)(F)F)cc2)nc1C(F)(F)FMolecular Processing
Molecular formula
C13H7ClF6N2O3S
Molecular weight
420.72
Exact mass
419.977
XLogP
4.4
TPSA
61.31
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
77.94
Supplementary Information
Obteniendo detalles…
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