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
   -3.0433   -1.5546    0.3378 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1968    0.0307    0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514   -0.1163   -0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187   -0.1564   -1.5898 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2397   -0.2213    0.4796 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -0.3619    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3846    0.5870   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0838    0.4326    1.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7979    0.7718   -0.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8628   -1.4109   -0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1860    1.6465   -0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3857    0.3530   -0.5848 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