SMILES:
Clc1ccc(C=CCCCBr)cc1Molecular Processing
Molecular formula
C11H12BrCl
Molecular weight
259.57
Exact mass
257.9811
XLogP
4.53
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
4
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
0.273
Molar refractivity
63.51
Supplementary Information
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