이름: (E)-3-(2,5-dichloro-phenoxy)-but-2-enoic acid ethyl ester
SMILES:
CCOC(=O)/C=C(\C)Oc1cc(Cl)ccc1ClMolecular Processing
Molecular formula
C12H12Cl2O3
Molecular weight
275.13
Exact mass
274.0163
XLogP
3.84
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
67.48
Supplementary Information
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