CC(=O)NC1=C(C=C(C(=C1I)O)C(=O)OC)Br
Nom: methyl 4-acetamido-5-bromo-2-hydroxy-3-iodobenzoate
SMILES: CC(=O)NC1=C(C=C(C(=C1I)O)C(=O)OC)Br

Molecular Processing

Molecular formula
C10H9BrINO4
Molecular weight
413.99
Exact mass
412.876
XLogP
2.5
TPSA
75.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
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
0.2
Molar refractivity
74.17

Supplementary Information

InChIKey: GFTIVAMVVQKLKC-UHFFFAOYSA-N
Synonymes
SCHEMBL3295279GFTIVAMVVQKLKC-UHFFFAOYSA-NMethyl 4-acetylamino-5-bromo-3-iodosalicylate
Voir la source →
Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→