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
    2.9878    0.8889   -1.0369 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1785   -0.2306    0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137    0.0891    0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3264    1.0259   -0.6602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1246   -0.6592    0.8244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4775   -0.4668    0.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2143    0.4236    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2363   -1.2875   -0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5571   -0.2157    1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763   -1.1807    1.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069    1.1852   -0.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3002    0.4278    0.5060 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