Название: 2-iodo-3-methyl-butyric acid ethyl ester
SMILES:
CCOC(=O)C(I)C(C)CMolecular Processing
Molecular formula
C7H13IO2
Molecular weight
256.08
Exact mass
255.996
XLogP
2.01
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
49.28
Supplementary Information
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