O=C(Cl)CCc1ccc(Cl)cc1
Name: 3-(4-Chlorophenyl)-propionyl chloride
SMILES: O=C(Cl)CCc1ccc(Cl)cc1

Molecular Processing

Molecular formula
C9H8Cl2O
Molecular weight
203.07
Exact mass
201.9952
XLogP
3.04
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
50.63

Supplementary Information

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