Monomers
Vinyl dichloroacetate
Identifiers
IUPAC name
ethenyl 2,2-dichloroacetate
InchI
InChI=1S/C4H4Cl2O2/c1-2-8-4(7)3(5)6/h2-3H,1H2
InchI Key
ZBCLTORTGNOIGM-UHFFFAOYSA-N
SMILES
C=COC(=O)C(Cl)Cl
Canonical SMILES
C=COC(=O)C(Cl)Cl
Isomeric SMILES
C=COC(=O)C(Cl)Cl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H4Cl2O2
Heavy Atom Count
8
Molecular Weight
154.98
Exact Molecular Weight
153.9588
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.4768
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
12 11 0 0 0 0 0 0 0 0999 V2000
2.2746 0.1886 0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5536 -0.0134 -0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2215 0.3632 -0.4730 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8113 -0.4679 -0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5432 -1.6384 0.2897 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2075 0.0709 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2282 1.4742 0.9909 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5152 0.6477 -1.7824 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.8307 0.6359 1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3390 -0.0962 0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0149 -0.4638 -1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9287 -0.7007 0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
6 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
6 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers