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
    2.9835   -1.0789    0.6606 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2066    0.2535   -0.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348    0.2466    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2736    1.0220    0.9483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1361   -0.5687   -0.5912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793   -0.6517   -0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2831    0.0435    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843    1.2432    0.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4451    0.2148   -1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9826   -1.4311   -1.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9739    0.8437    0.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3729   -0.1369    0.3580 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