O=[N+]([O-])c1ccc(OCCCl)cc1
Name: 2-[4-nitrophenoxy]ethyl chloride
SMILES: O=[N+]([O-])c1ccc(OCCCl)cc1

Molecular Processing

Molecular formula
C8H8ClNO3
Molecular weight
201.61
Exact mass
201.0193
XLogP
2.21
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
13
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
0.25
Molar refractivity
49.31

Supplementary Information

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