Name: ethyl 2-(3-bromophenyl)-3-hydroxy-2-propenoate
SMILES:
CCOC(=O)C(=CO)c1cccc(Br)c1Molecular Processing
Molecular formula
C11H11BrO3
Molecular weight
271.11
Exact mass
269.9892
XLogP
2.91
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
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
0.182
Molar refractivity
61.38
Supplementary Information
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