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
   -2.7823    1.3137    0.9687 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2603   -0.2473    0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446    0.0101   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9246    0.3621   -1.5949 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2593   -0.1257    0.2573 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4859    0.1060   -0.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6104   -0.0392    0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0129   -0.6524   -0.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -0.9409    1.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5410    0.4126   -1.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694   -0.3459    1.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5438    0.1471   -0.1982 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