Name: 2-bromo-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone
SMILES:
O=C(CBr)c1ccc(O)c(CO)c1Molecular Processing
Molecular formula
C9H9BrO3
Molecular weight
245.07
Exact mass
243.9735
XLogP
1.46
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
52.15
Supplementary Information
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Involved in 17 reactions→