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
    2.4374    1.4411   -1.4508 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2230    0.2235   -0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7556    0.1735    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472    0.8217    1.1224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1415   -0.5101   -0.6111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4930   -0.6291   -0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513   -0.1569    0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5952   -0.7739   -0.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7367    0.5294    0.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0510   -1.2136   -1.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3088   -0.3275    0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8496    0.4220    1.3369 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