Name: 2,5-dichloroanisole
SMILES:
COc1cc(Cl)ccc1ClMolecular Processing
Molecular formula
C7H6Cl2O
Molecular weight
177.03
Exact mass
175.9796
XLogP
3
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
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
0.143
Molar refractivity
43.01
Supplementary Information
No supplementary data available
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