Nombre: 7-bromo-6-butyl-5H-cyclopenta[f][1,3]benzodioxole
SMILES:
CCCCC1=C(C2=CC3=C(C=C2C1)OCO3)BrMolecular Processing
Molecular formula
C14H15BrO2
Molecular weight
295.18
Exact mass
294.0255
XLogP
4.27
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
71.64
Supplementary Information
InChIKey: DSKYFUXPJXIWCL-UHFFFAOYSA-N
Sinónimos
SCHEMBL9665854DSKYFUXPJXIWCL-UHFFFAOYSA-N2-n-butyl-3-bromo-5,6-methylenedioxyindene
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