SMILES:
CC1(C)Cc2c(Br)cc(Cl)cc2O1Molecular Processing
Molecular formula
C10H10BrClO
Molecular weight
261.55
Exact mass
259.9604
XLogP
3.82
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
57.56
Supplementary Information
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