CCOC(=O)c1cc(Cl)nc(C)n1
Name: ethyl 6-chloro-2-methylpyrimidine-4-carboxylate
SMILES: CCOC(=O)c1cc(Cl)nc(C)n1

Molecular Processing

Molecular formula
C8H9ClN2O2
Molecular weight
200.62
Exact mass
200.0353
XLogP
1.62
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
47.74

Supplementary Information

Details werden geladen…

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