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
    2.4166   -0.4778    1.8681 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2244    0.1756    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9720   -0.3852   -0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9049   -1.3105   -1.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2084    0.2147    0.1032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486   -0.1449   -0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5179    0.4037    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510    1.3054    0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599   -0.1413   -0.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356   -0.9337   -1.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137    1.1834    0.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5045    0.1105   -0.1796 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