이름: 1-iodomethyl-4-nitro-benzene
SMILES:
O=[N+]([O-])c1ccc(CI)cc1Molecular Processing
Molecular formula
C7H6INO2
Molecular weight
263.03
Exact mass
262.9443
XLogP
2.53
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
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
0.143
Molar refractivity
50.82
Supplementary Information
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