CC(=O)O.CC(=O)O.C1=CC=C(C=C1)I
Nom: acetic acid;iodobenzene
SMILES: CC(=O)O.CC(=O)O.C1=CC=C(C=C1)I

Molecular Processing

Molecular formula
C10H13IO4
Molecular weight
324.11
Exact mass
323.9859
XLogP
2.47
TPSA
74.6
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
3
Fraction Csp3
0.2
Molar refractivity
65.78

Supplementary Information

InChIKey: XEFCWBLINXJUIV-UHFFFAOYSA-N
Synonymes
iodobenzen diacetateiodo benzene diacetatediacetic acid iodobenzene(Diacetoxyiodo)benzene; PIASCHEMBL1286626XEFCWBLINXJUIV-UHFFFAOYSA-NAKOS015888133AB00949
Voir la source →
Impliqué dans 315 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→