Nombre: 7-bromo-3,4-dihydro-2H-benzo[b][1,4]dioxepine
SMILES:
Brc1ccc2c(c1)OCCCO2Molecular Processing
Molecular formula
C9H9BrO2
Molecular weight
229.07
Exact mass
227.9786
XLogP
2.61
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
49.75
Supplementary Information
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