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
   -2.9384    0.8912   -0.6734 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.5036    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6918   -0.3604    0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0409   -1.2869    0.6895 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    0.6899   -0.3638 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3473    0.9081   -0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3076    0.1629    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763   -1.4066   -0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5660   -0.6134    1.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6599    1.8476   -0.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1981   -0.7922    0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662    0.4633   -0.0121 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