C1=CC(=C2C(=C1)C(=O)C=C(O2)C#N)CBr
Nom: 8-(bromomethyl)-4-oxochromene-2-carbonitrile
SMILES: C1=CC(=C2C(=C1)C(=O)C=C(O2)C#N)CBr

Molecular Processing

Molecular formula
C11H6BrNO2
Molecular weight
264.08
Exact mass
262.9582
XLogP
2.56
TPSA
54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
59.83

Supplementary Information

InChIKey: LNQHLWNCHWLAGM-UHFFFAOYSA-N
Synonymes
SCHEMBL9635576LNQHLWNCHWLAGM-UHFFFAOYSA-N8-bromomethyl-2-cyano-4-oxo-4H-1-benzopyran
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→