C=C(C)COc1c(I)cc(C2(C(=O)OC)CC2)cc1I
CAS: 936727-40-1
Nombre: methyl 1-[3,5-diiodo-4-(2-methylprop-2-enoxy)phenyl]cyclopropane-1-carboxylate
SMILES: C=C(C)COc1c(I)cc(C2(C(=O)OC)CC2)cc1I

Molecular Processing

Molecular formula
C15H16I2O3
Molecular weight
498.1
Exact mass
497.9189
XLogP
4.06
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
95.11

Supplementary Information

InChIKey: DDAVRXDGTRKEJO-UHFFFAOYSA-N
Sinónimos
SCHEMBL1465401DDAVRXDGTRKEJO-UHFFFAOYSA-NDB-0887021-[3,5-diiodo-4-(2-methyl-allyloxy)-phenyl]-cyclopropane-carboxylic acid methyl ester1-[3,5-diiodo-4-(2-methyl-allyloxy)-phenyl]cyclopropane-carboxylic acid methyl ester936727-40-1
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