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
2.2268 0.6530 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3624 0.5068 -0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0171 0.5250 -0.3774 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6605 -0.6371 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0246 -1.7122 -0.0543 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1031 -0.5251 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2613 0.5645 1.6441 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8743 0.3238 -1.1465 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.2776 0.6363 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9473 0.7904 1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6863 0.3739 -1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5938 -1.4993 0.4123 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