C1C(C(C1OC(=O)C2=CC=CC=C2)CBr)CO
Nom: [2-(bromomethyl)-3-(hydroxymethyl)cyclobutyl] benzoate
SMILES: C1C(C(C1OC(=O)C2=CC=CC=C2)CBr)CO

Molecular Processing

Molecular formula
C13H15BrO3
Molecular weight
299.16
Exact mass
298.0205
XLogP
2.24
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
68.12

Supplementary Information

InChIKey: ACRNCCIDAMZBQA-UHFFFAOYSA-N
Synonymes
SCHEMBL9470650ACRNCCIDAMZBQA-UHFFFAOYSA-N1-Benzoyloxy-2-bromomethyl-3-hydroxymethylcyclobutane
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→