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
    2.3943    1.6299   -1.6927 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1155    0.7994   -0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9541   -0.0945   -0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0364   -1.1922   -0.9086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2727    0.2005    0.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3383   -0.6396    0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5038   -0.3803    0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9760    0.2384    0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8744    1.5908    0.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2033   -1.5851   -0.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3202   -1.0906    0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7124    0.5232    1.1679 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