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
3.5468 -0.6085 0.3026 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.1610 0.5050 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9370 -0.3024 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9493 -1.5594 0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2809 0.3201 -0.0673 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4595 -0.4041 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6150 0.2097 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1670 1.1666 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2614 1.1391 -0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4407 -1.4777 -0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6615 1.3041 -0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5650 -0.2923 -0.3105 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