Name: 206b
SMILES:
CC(CO)(CCCBr)c1ccccc1Molecular Processing
Molecular formula
C12H17BrO
Molecular weight
257.17
Exact mass
256.0463
XLogP
3.11
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
63.91
Supplementary Information
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Involved in 17 reactions→