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
    3.2704   -0.8787   -0.7756 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1590    0.2042    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566   -0.3126    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301   -1.3926   -0.5153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2436    0.4219    0.6419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5370   -0.0695    0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3026    0.2780   -0.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4491    0.4121    1.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1777    1.1881   -0.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101   -0.7170    1.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9235    0.9223   -1.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3263   -0.0563   -0.5016 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