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
2.2980 -0.2828 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5108 0.6176 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1669 0.6222 0.2978 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 -0.1188 -0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3322 -0.7854 -1.4625 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1493 -0.1175 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2789 -0.7673 1.5511 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8246 1.5206 -0.0925 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.8999 -1.0130 1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3578 -0.3188 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8259 1.3890 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7632 -0.7459 -0.7509 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