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
    3.2612   -0.7762   -0.8651 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1809    0.2487    0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735   -0.0869   -0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5258   -0.1621   -1.5002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2114   -0.3006    0.6440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4963   -0.5937    0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4155    0.3267    0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3766    1.3103   -0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3389    0.1370    1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7948   -1.6150    0.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1190    1.3764    0.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4199    0.1354   -0.0706 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