Name: 1-(4-chloro-butoxy)-4-nitrobenzene
SMILES:
O=[N+]([O-])c1ccc(OCCCCCl)cc1Molecular Processing
Molecular formula
C10H12ClNO3
Molecular weight
229.66
Exact mass
229.0506
XLogP
2.99
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
58.55
Supplementary Information
Details werden geladen…
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