Name: 2-chloro-4-(1,1-dimethyl-propyl)-phenol
SMILES:
CCC(C)(C)c1ccc(O)c(Cl)c1Molecular Processing
Molecular formula
C11H15ClO
Molecular weight
198.69
Exact mass
198.0811
XLogP
3.73
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
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
2
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
56.43
Supplementary Information
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