Name: (E)-4-bromo-3-phenoxy-but-2-enoic acid ethyl ester
SMILES:
CCOC(=O)/C=C(\CBr)Oc1ccccc1Molecular Processing
Molecular formula
C12H13BrO3
Molecular weight
285.14
Exact mass
284.0048
XLogP
2.91
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
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
65.58
Supplementary Information
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