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
   -2.6897   -1.4400   -0.2583 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2268    0.2230    0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7112    0.3361    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951    1.4389    0.4956 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0774   -0.7398   -0.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4426   -0.7624   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2938    0.1837    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6153    0.4840    1.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5705    0.9167   -0.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378   -1.7916   -0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    1.1725    0.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3533   -0.0209    0.1675 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