Nombre: 3-(6-bromo-1,3-benzodioxol-5-yl)propanenitrile
SMILES:
N#CCCc1cc2c(cc1Br)OCO2Molecular Processing
Molecular formula
C10H8BrNO2
Molecular weight
254.08
Exact mass
252.9738
XLogP
2.63
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
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
0.3
Molar refractivity
54.2
Supplementary Information
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