Name: 4-bromo-2-chloro-1-[(3-methylbut-3-en-1-yl)sulfanyl]benzene
SMILES:
C=C(C)CCSc1ccc(Br)cc1ClMolecular Processing
Molecular formula
C11H12BrClS
Molecular weight
291.64
Exact mass
289.9532
XLogP
5.16
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
14
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
0.273
Molar refractivity
69.31
Supplementary Information
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