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
   -3.2397   -0.6489    1.0829 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1723    0.1427   -0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7565   -0.3066    0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3894   -1.1503    0.9343 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2200    0.2154   -0.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5232   -0.2006   -0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3443    0.4236    0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300    1.2458    0.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5229   -0.0720   -1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8609   -1.0491   -1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9841    1.2749    0.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3784    0.1253    0.3346 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