Cc1c(Br)ccc(S(C)(=O)=O)c1C1=NOCC1
Nom: 3-(3-bromo-2-methyl-6-methylsulfonylphenyl)-4,5-dihydroisoxazole
SMILES: Cc1c(Br)ccc(S(C)(=O)=O)c1C1=NOCC1

Molecular Processing

Molecular formula
C11H12BrNO3S
Molecular weight
318.19
Exact mass
316.9721
XLogP
2.29
TPSA
55.73
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
69.09

Supplementary Information

Récupération des détails…

Impliqué dans 19 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→