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
   -2.5800    0.9100   -1.1238 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956   -0.0475    0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7629   -0.3591    0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3343   -1.0334    1.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1393    0.0599   -0.5718 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4953   -0.2600   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3277    0.5367    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8298   -0.9732    0.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5032    0.5849    1.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8671   -1.1736   -0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3736    0.2951    0.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0028    1.4603    0.6237 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