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
    1.6671    1.0997   -2.1458 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3186   -0.5669   -1.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2650   -0.5841   -0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673   -1.6322   -0.0724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2751    0.6165   -0.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2574    0.6024    0.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8954    0.6743    2.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2453   -1.0418   -1.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9081   -1.1055   -2.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909    0.5328    0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6643    0.6633    2.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1462    0.7417    2.2954 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