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
    2.5483    1.5279    0.6453 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2418   -0.1888    0.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9474   -0.2149   -0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8822   -0.4181   -1.7658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063   -0.0056    0.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582    0.0022   -0.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5143    0.1890    0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0772   -0.5868   -0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0428   -0.7172    1.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5816   -0.1521   -1.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237    0.3549    1.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5555    0.2095    0.0600 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