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
2.2315 2.0043 -0.8000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.1848 0.3732 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8277 -0.0761 0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7153 -1.2391 0.6806 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3147 0.6786 0.0867 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5506 0.1442 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3207 -0.5215 -0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6038 -0.3942 -0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7944 0.3560 0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8913 0.2774 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2719 -0.9308 -0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0083 -0.6719 -1.3709 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