Name: 1-bromo-4-phenylbutan-2-one
SMILES:
O=C(CBr)CCc1ccccc1Molecular Processing
Molecular formula
C10H11BrO
Molecular weight
227.1
Exact mass
225.9993
XLogP
2.58
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
53.56
Supplementary Information
Details werden geladen…
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