이름: 4-amino-3-iodo-5-nitro-benzoic acid methyl ester
SMILES:
COC(=O)c1cc(I)c(N)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C8H7IN2O4
Molecular weight
322.06
Exact mass
321.9451
XLogP
1.57
TPSA
95.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
61.57
Supplementary Information
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