이름: 1-(2-chloro-1-chloromethyl-ethoxy)-2-nitro-benzene
SMILES:
O=[N+]([O-])c1ccccc1OC(CCl)CClMolecular Processing
Molecular formula
C9H9Cl2NO3
Molecular weight
250.08
Exact mass
248.9959
XLogP
2.82
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
58.95
Supplementary Information
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