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
    3.0168   -1.0829   -0.1406 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0798    0.3736   -0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8068    0.3049    0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5568    0.9465    1.2524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1369   -0.5777   -0.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3610   -0.7343    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.0122    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6336    1.2995   -0.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8476    0.3448   -1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -1.4835    1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3563   -0.1119    0.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586    0.7332   -0.7796 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