Name: 2-bromo-1-(4-fluorobenzamido)ethane
SMILES:
O=C(NCCBr)c1ccc(F)cc1Molecular Processing
Molecular formula
C9H9BrFNO
Molecular weight
246.08
Exact mass
244.9852
XLogP
1.95
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
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
52.53
Supplementary Information
Details werden geladen…
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