C[C@@H](CBr)N1C(=O)c2ccccc2C1=O
Name: (S)-2-(1-bromopropan-2-yl)isoindoline-1,3-dione
SMILES: C[C@@H](CBr)N1C(=O)c2ccccc2C1=O

Molecular Processing

Molecular formula
C11H10BrNO2
Molecular weight
268.11
Exact mass
266.9895
XLogP
2.07
TPSA
37.38
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
60.2

Supplementary Information

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