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
3.0168 -1.0829 -0.1406 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0798 0.3736 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8068 0.3049 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5568 0.9465 1.2524 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1369 -0.5777 -0.2734 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3610 -0.7343 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4000 -0.0122 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6336 1.2995 -0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8476 0.3448 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4288 -1.4835 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3563 -0.1119 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2586 0.7332 -0.7796 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