CC(NC(=O)OC(C)(C)C)c1ccc(Br)cc1
SMILES: CC(NC(=O)OC(C)(C)C)c1ccc(Br)cc1

Molecular Processing

Molecular formula
C13H18BrNO2
Molecular weight
300.2
Exact mass
299.0521
XLogP
4.03
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
71.93

Supplementary Information

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