Name: 3-(5-trifluoromethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionaldehyde
SMILES:
O=CCCn1cc(C(F)(F)F)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C8H7F3N2O3
Molecular weight
236.15
Exact mass
236.0409
XLogP
0.14
TPSA
71.93
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
47.01
Supplementary Information
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