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
   -2.2435   -0.9459    1.5019 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2977    0.0236    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890    0.2821   -0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6732    0.9546   -1.4616 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2029   -0.1954    0.2696 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4737    0.0837   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5385   -0.3642    0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9044   -0.4147   -0.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790    1.0020    0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990    0.6757   -1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4408   -0.9485    1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5318   -0.1531    0.0913 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