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
    2.6774   -1.5972   -0.8723 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2066   -0.0694   -0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7116    0.0214   -0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688    0.1026   -1.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0918    0.0150    0.8814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453    0.0888    0.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2743    0.1992   -0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    0.7402   -0.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5422   -0.0516    0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9681    0.0492    1.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3420    0.2449    0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264    0.2569   -1.1760 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