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
   -2.7906   -0.4706    1.5087 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2319    0.1450   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315    0.3056   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2443    1.4420    0.1306 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.7494   -0.1841 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4736   -0.8216   -0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3330    0.1306    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5556   -0.4925   -0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6674    1.1648   -0.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9160   -1.8079   -0.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4158    0.0100    0.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9553    1.1440    0.2502 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