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
-2.4034 -0.1442 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4618 -0.5644 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1755 -0.6343 -0.1085 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7568 0.3684 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4400 1.4498 -0.6918 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1138 0.1225 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9214 -1.2377 -0.4425 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.0942 1.5981 0.3270 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.4205 -0.0848 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2377 0.1579 1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6895 -0.8491 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0622 -0.1822 1.4605 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