Name: (3-bromo-4-methoxy-phenyl)-acetic acid methyl ester
SMILES:
COC(=O)Cc1ccc(OC)c(Br)c1Molecular Processing
Molecular formula
C10H11BrO3
Molecular weight
259.1
Exact mass
257.9892
XLogP
2.17
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
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
0.3
Molar refractivity
56.41
Supplementary Information
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