이름: 5-(2-bromoacetyl)-2,2-dimethyl-1,3-benzodioxole
SMILES:
CC1(C)Oc2ccc(C(=O)CBr)cc2O1Molecular Processing
Molecular formula
C11H11BrO3
Molecular weight
271.11
Exact mass
269.9892
XLogP
2.77
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
59.9
Supplementary Information
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