SMILES:
CC(C)(C)OC(=O)CCc1cccc(CBr)c1Molecular Processing
Molecular formula
C14H19BrO2
Molecular weight
299.21
Exact mass
298.0568
XLogP
3.86
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
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
0.5
Molar refractivity
73.24
Supplementary Information
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