이름: title compound
SMILES:
CCOC(=O)C(C)(C)c1cncc(Br)c1Molecular Processing
Molecular formula
C11H14BrNO2
Molecular weight
272.14
Exact mass
271.0208
XLogP
2.68
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
61.6
Supplementary Information
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