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
    3.5621   -0.5837    0.1527 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1936    0.5386    0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9343   -0.1928    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9751   -1.4300   -0.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203    0.3987    0.1786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4513   -0.3839   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6767    0.1317    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2072    0.8945    1.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3045    1.3949   -0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3525   -1.4591   -0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8334    1.1799    0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5426   -0.4888   -0.1006 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