Nom: 1-(3-chloromethyl-4-methoxy-phenyl)-cyclopropanecarboxylic acid methyl ester
SMILES:
COC(=O)C1(c2ccc(OC)c(CCl)c2)CC1Molecular Processing
Molecular formula
C13H15ClO3
Molecular weight
254.71
Exact mass
254.071
XLogP
2.64
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
65.48
Supplementary Information
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