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
-2.2733 -0.3798 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5588 0.5609 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1902 0.6158 -0.2574 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7110 -0.0657 0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2505 -0.7446 1.4942 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1707 -0.0208 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5884 -0.6514 -1.3021 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8052 1.6310 0.4606 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.3391 -0.4751 -0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7942 -1.0989 -1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0569 1.2562 0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6866 -0.6277 1.0942 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