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
-2.3020 1.7577 -0.0321 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2635 0.0112 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9037 -0.5416 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7497 -1.7731 -0.3815 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2090 0.2673 -0.2026 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4962 -0.2342 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5154 0.6094 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8448 -0.2688 -1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7840 -0.5157 0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7314 -1.2877 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3553 1.6833 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5404 0.2921 -0.2416 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