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
    2.3551    1.5117   -1.4350 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1056    0.7109    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790    0.4144    0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0741    1.2392    0.9743 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0786   -0.7850    0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2765   -1.0252    0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2238   -0.6920   -0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -0.1873    0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4577    1.3938    0.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5762   -1.4966    1.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2676   -0.8742   -0.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0077   -0.2098   -1.5394 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