Nombre: methyl 3-iodo-5-(4-methylphenyl)benzoate
SMILES:
CC1=CC=C(C=C1)C2=CC(=CC(=C2)I)C(=O)OCMolecular Processing
Molecular formula
C15H13IO2
Molecular weight
352.17
Exact mass
351.996
XLogP
4.05
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
80.67
Supplementary Information
InChIKey: USWIIRNZLBTCSP-UHFFFAOYSA-N
Sinónimos
SCHEMBL311084USWIIRNZLBTCSP-UHFFFAOYSA-N5-Iodo-4'-methyl-biphenyl-3-carboxylic acid methyl ester
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