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
    3.0006    0.8744   -0.6972 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1192   -0.5447   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7201   -0.1629    0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234    0.1544    1.5325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2920   -0.1587   -0.5573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5771    0.1657   -0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1591    0.4937    0.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043   -0.8576    0.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1299   -1.3912   -0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2456    0.1425   -1.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6881    0.5703    1.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2356    0.7144    0.8298 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