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
    2.7673   -1.8686    0.4124 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2344   -0.1676    0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7715   -0.0455    0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705   -0.0385    1.7282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720    0.0553   -0.4709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    0.1575   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3982    0.3149   -1.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5632    0.2846   -0.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7246    0.4391    1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207    0.1124    0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4352    0.3967   -0.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0976    0.3598   -2.0396 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