الاسم: 4-bromo-3-(2,5-difluoro-phenoxy)-but-2-enoic acid ethyl ester
SMILES:
CCOC(=O)C=C(CBr)Oc1cc(F)ccc1FMolecular Processing
Molecular formula
C12H11BrF2O3
Molecular weight
321.12
Exact mass
319.986
XLogP
3.19
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
65.5
Supplementary Information
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