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
    2.2622    1.7549    0.1556 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1086    0.0909    0.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.4513    0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.6120    0.5141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0504    0.3789   -0.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.0086   -0.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366    0.1949   -0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1277    0.0038    1.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9564   -0.4988    0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3930   -0.4252   -1.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3376   -0.0785   -0.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2415    0.6338    0.8735 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