Name: ethyl 3-chloronicotinate
SMILES:
CCOC(=O)C1(Cl)C=CC=NC1Molecular Processing
Molecular formula
C8H10ClNO2
Molecular weight
187.63
Exact mass
187.04
XLogP
1.17
TPSA
38.66
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
47.72
Supplementary Information
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