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
    3.1524   -1.1217    0.2686 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1215    0.3506    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6955    0.0417    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595    0.1773    1.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -0.4095   -0.6729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4195   -0.7147   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3281    0.2071   -0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4898    1.0067    1.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3285    0.9003   -0.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7439   -1.7000   -0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759    1.2041   -1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3922    0.0579   -0.7162 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