SMILES:
CC1COC(CBr)O1Molecular Processing
Molecular formula
C5H9BrO2
Molecular weight
181.03
Exact mass
179.9786
XLogP
1.14
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
8
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
34.08
Supplementary Information
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