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
    2.2315    2.0043   -0.8000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1848    0.3732   -0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8277   -0.0761    0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153   -1.2391    0.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3147    0.6786    0.0867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5506    0.1442    0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207   -0.5215   -0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6038   -0.3942   -0.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7944    0.3560    0.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8913    0.2774    1.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2719   -0.9308   -0.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.6719   -1.3709 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