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
-2.2457 -0.4795 -0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6302 0.0702 0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3139 -0.2465 0.4730 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7695 0.4208 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5657 1.3867 -0.8160 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1794 0.0727 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 -1.5938 -0.2418 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3864 0.2067 2.0413 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7228 -1.1908 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2862 -0.2198 -1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1380 0.7871 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8783 0.7861 -0.1879 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