الاسم: (5-Bromo-2-isopropyl-4-methoxy-phenoxy)-acetonitrile
SMILES:
COc1cc(C(C)C)c(OCC#N)cc1BrMolecular Processing
Molecular formula
C12H14BrNO2
Molecular weight
284.15
Exact mass
283.0208
XLogP
3.48
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
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
0.417
Molar refractivity
65.89
Supplementary Information
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