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
   -2.0889    1.6491    1.0837 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2246    0.2258    0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8558   -0.3216   -0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6465   -1.3441   -0.8937 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2668    0.2654    0.3949 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5366   -0.2375    0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3160    0.1443   -0.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8129   -0.5773    0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6723    0.5214   -0.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -0.9741    0.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9804    0.8900   -1.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3109   -0.2414   -0.9528 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