CC(C)c1ccc(Br)cc1C=O
Name: 5-bromo-2-isopropylbenzaldehyde
SMILES: CC(C)c1ccc(Br)cc1C=O

Molecular Processing

Molecular formula
C10H11BrO
Molecular weight
227.1
Exact mass
225.9993
XLogP
3.39
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
53.62

Supplementary Information

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