名称: 2-Bromo-1-mesitylethanone
SMILES:
Cc1cc(C)c(C(=O)CBr)c(C)c1Molecular Processing
Molecular formula
C11H13BrO
Molecular weight
241.13
Exact mass
240.015
XLogP
3.19
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
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
0.364
Molar refractivity
58.78
Supplementary Information
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