CCCCOC(=O)C(C)(C)c1ccc(CBr)cc1
SMILES: CCCCOC(=O)C(C)(C)c1ccc(CBr)cc1

Molecular Processing

Molecular formula
C15H21BrO2
Molecular weight
313.23
Exact mass
312.0725
XLogP
4.2
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
18
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
0.533
Molar refractivity
77.97

Supplementary Information

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