Name: 2-chloro-4-[1-(methoxycarbonyl)ethoxy]pyrimidine
SMILES:
COC(=O)C(C)Oc1ccnc(Cl)n1Molecular Processing
Molecular formula
C8H9ClN2O3
Molecular weight
216.62
Exact mass
216.0302
XLogP
1.07
TPSA
61.31
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
49.15
Supplementary Information
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