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
    2.4767   -1.9835    0.4392 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1249   -0.3282   -0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7270    0.0735    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3672    0.3618    1.2285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2170    0.1519   -0.9419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5533    0.5330   -0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1941    0.1380    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8710    0.3347    0.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2990   -0.3159   -1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9449    1.1791   -1.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2400    0.3707    0.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7166   -0.5150    1.0109 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