SMILES:
OCC#CCBrMolecular Processing
Molecular formula
C4H5BrO
Molecular weight
148.99
Exact mass
147.9524
XLogP
0.38
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
28.66
Supplementary Information
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