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
    2.4064    0.6212    1.4753 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1516    0.3993   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7675   -0.0909   -0.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473   -0.3222   -1.6875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0683   -0.2910    0.5227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3592   -0.7331    0.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3389    0.1286    0.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8952   -0.3205   -0.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2771    1.4008   -0.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5665   -1.7791    0.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1576    1.2085    0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3547   -0.2216    0.2978 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