이름: (S)-(-)-2-phenyl-3-methylbromobutane
SMILES:
CC(C)[C@H](CBr)c1ccccc1Molecular Processing
Molecular formula
C11H15Br
Molecular weight
227.15
Exact mass
226.0357
XLogP
3.82
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
57.82
Supplementary Information
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