SMILES:
CC1CCC(C(C)C)C(OC(=O)CBr)C1Molecular Processing
Molecular formula
C12H21BrO2
Molecular weight
277.2
Exact mass
276.0725
XLogP
3.39
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
65.02
Supplementary Information
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