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
    2.4638    1.7584   -0.5052 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1797    0.2322    0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8018   -0.2876    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357   -1.3864    0.6651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1742    0.3381   -0.6195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4452   -0.1970   -0.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619    0.1281    0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499    0.2655    1.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8698   -0.5303   -0.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244   -0.8661   -1.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3739   -0.2585    0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1211    0.8034    0.9481 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