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
    2.9461   -1.3985   -0.1244 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2284    0.2214   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8135    0.1979    0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3285    0.9929    1.2159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579   -0.6677   -0.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559   -0.5765    0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4370    0.1088   -0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7866    0.7413    0.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4147    0.7280   -0.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7962   -1.1090    1.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4268    0.1122   -0.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2441    0.6492   -1.3370 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