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
    3.4656    0.9891    0.5297 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2547   -0.2563    0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8994    0.3136    0.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7878    1.5191    0.6955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2596   -0.4139    0.1817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5059    0.2030    0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6293   -0.4446    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3668   -0.5802   -0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4396   -1.1096    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5505    1.2454    0.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5873    0.0341    0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6816   -1.4997   -0.0915 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