CCOC(=O)c1ccc(CCl)cn1
名称: ethyl-5-(chloromethyl)-pyridine-2-carboxylate
SMILES: CCOC(=O)c1ccc(CCl)cn1

Molecular Processing

Molecular formula
C9H10ClNO2
Molecular weight
199.64
Exact mass
199.04
XLogP
2
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
49.75

Supplementary Information

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