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
Resources
cid=

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
   -2.4017    0.3579   -1.7886 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230   -0.8987   -0.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5906   -0.4907    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971   -1.3157    0.8328 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0290    0.7047   -0.1203 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1546    1.1942    0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8892    0.5718    1.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5692   -1.1648    0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5911   -1.8360   -1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4635    2.2006    0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808    1.0813    1.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7555   -0.4045    1.7684 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