이름: tert-Butyl 5-bromo-2-chlorobenzoate
SMILES:
CC(C)(C)OC(=O)c1cc(Br)ccc1ClMolecular Processing
Molecular formula
C11H12BrClO2
Molecular weight
291.57
Exact mass
289.9709
XLogP
4.06
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
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
0.364
Molar refractivity
64.32
Supplementary Information
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