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
    2.1251    0.8890    1.8845 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2114    0.2576    0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8561   -0.1912   -0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605   -0.6876   -1.3333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2630   -0.0953    0.6366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5192   -0.5160    0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3569    0.2768   -0.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5835    1.0290   -0.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8925   -0.6413    0.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8113   -1.5350    0.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0628    1.2876   -0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3159   -0.0738   -0.6856 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