Name: (E)-5-(3,5-dichloro-phenyl)-pent-2-en-4-ynoic acid ethyl ester
SMILES:
CCOC(=O)/C=C/C#Cc1cc(Cl)cc(Cl)c1Molecular Processing
Molecular formula
C13H10Cl2O2
Molecular weight
269.13
Exact mass
268.0058
XLogP
3.46
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
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
0.154
Molar refractivity
69.11
Supplementary Information
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