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
   -2.3847   -0.4834    1.6644 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2065   -0.1369   -0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7741    0.2075   -0.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3597    0.4973   -1.4840 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1737    0.2284    0.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4715    0.5531    0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3050   -0.4265    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5311   -1.0048   -0.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8799    0.7026   -0.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658    1.5620    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9863   -1.4609   -0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3339   -0.2384   -0.2105 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