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
   -3.0033    0.6662    1.3782 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1952   -0.2013    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7140    0.0130    0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3038    0.7280    1.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1682   -0.5290   -0.7318 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190   -0.3548   -0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416    0.3245    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5404    0.2938   -0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4635   -1.2629    0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450   -0.9033   -1.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9108    0.8923    0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357    0.3337    0.0110 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