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
    2.5426    1.6318   -0.0153 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2768   -0.0951   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8676   -0.4892   -0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5919   -1.7129   -0.1332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1886    0.3881    0.1443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4784   -0.1162    0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5349    0.6454    0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9118   -0.6350    0.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6193   -0.4019   -1.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6725   -1.1979    0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5426    0.2748    0.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931    1.7081    0.4925 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