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
    3.5840   -0.6072   -0.3289 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2046    0.4607   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9140   -0.3044   -0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8871   -1.5566   -0.2231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078    0.3326    0.0514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4848   -0.3923    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6159    0.2588    0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1239    1.2189   -0.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3166    1.0073    0.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4359   -1.4574   -0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6478    1.3262    0.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -0.2866    0.2287 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