이름: 4-(2-chloro-5-fluoropyrimidin-4-yl)-benzoic acid methyl ester
SMILES:
COC(=O)c1ccc(-c2nc(Cl)ncc2F)cc1Molecular Processing
Molecular formula
C12H8ClFN2O2
Molecular weight
266.66
Exact mass
266.0258
XLogP
2.72
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
63.78
Supplementary Information
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