Name: 3-bromo-4,5-dimethyl-4,5-dihydro-6H-cyclopenta[b]thiophen-6-one
SMILES:
CC1C(=O)c2scc(Br)c2C1CMolecular Processing
Molecular formula
C9H9BrOS
Molecular weight
245.14
Exact mass
243.9557
XLogP
3.45
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
53.93
Supplementary Information
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