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
    3.1480    1.0437   -0.3402 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1530   -0.4025   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512   -0.0254   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3285   -0.0645   -1.4370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1263    0.3680    0.7163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4340    0.7084    0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4011   -0.1954    0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4355   -1.2348   -0.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126   -0.7560    1.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6306    1.7399    0.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1157   -1.1990    0.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4211    0.0176    0.1629 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