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
    3.4986   -0.8796   -0.0022 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2200    0.3531    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8883   -0.2770    0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8226   -1.5376   -0.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2993    0.4165    0.0825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5060   -0.2758    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6525    0.3425    0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860    1.0336   -0.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4018    0.9536    0.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5094   -1.3583    0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6635    1.4151    0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5866   -0.1862    0.0794 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