SMILES:
COC=C(C(=O)OC)c1ccccc1CBrMolecular Processing
Molecular formula
C12H13BrO3
Molecular weight
285.14
Exact mass
284.0048
XLogP
2.74
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
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
0.25
Molar refractivity
66.08
Supplementary Information
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