이름: 2-isocyanato-4-methoxy-6-trifluoromethylpyrimidine
SMILES:
COc1cc(C(F)(F)F)nc(N=C=O)n1Molecular Processing
Molecular formula
C7H4F3N3O2
Molecular weight
219.12
Exact mass
219.0256
XLogP
1.47
TPSA
64.44
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
15
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
0.286
Molar refractivity
41.37
Supplementary Information
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