COc1c(C)cnc(CCl)c1C.Cl
名称: 2-chloromethyl-4-methoxy-3,5-dimethyl-pyridine hydrochloride
SMILES: COc1c(C)cnc(CCl)c1C.Cl

Molecular Processing

Molecular formula
C9H13Cl2NO
Molecular weight
222.12
Exact mass
221.0374
XLogP
2.87
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
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
4
Covalent units
2
Fraction Csp3
0.444
Molar refractivity
57.07

Supplementary Information

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