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
    2.6384    0.6630   -1.5119 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2326   -0.0118    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518   -0.1084    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151   -0.5725    1.3430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1525    0.2872   -0.6844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045    0.2570   -0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2974   -0.1535    0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6446    0.6554    0.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6659   -1.0245    0.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    0.6431   -1.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3918   -0.0933    0.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9057   -0.5417    1.2273 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