Monomers
Vinyl chloroacetate
Identifiers
IUPAC name
ethenyl 2-chloroacetate
InchI
InChI=1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2
InchI Key
XJELOQYISYPGDX-UHFFFAOYSA-N
SMILES
ClCC(=O)OC=C
Canonical SMILES
C=COC(=O)CCl
Isomeric SMILES
C=COC(=O)CCl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H5ClO2
Heavy Atom Count
7
Molecular Weight
120.535
Exact Molecular Weight
119.9978
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.9119
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
2.9878 0.8889 -1.0369 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.1785 -0.2306 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7137 0.0891 0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3264 1.0259 -0.6602 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1246 -0.6592 0.8244 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4775 -0.4668 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2143 0.4236 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2363 -1.2875 -0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5571 -0.2157 1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9763 -1.1807 1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9069 1.1852 -0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3002 0.4278 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 3
2 8 1 0
2 9 1 0
6 10 1 0
7 11 1 0
7 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers