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
    2.9616    1.4026    0.1501 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2049   -0.1199    0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8967   -0.3339   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8047   -0.9267   -1.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2651    0.1221    0.5704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5019   -0.0530   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5587    0.4142    0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8419   -1.0020    0.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1465   -0.1247    1.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -0.5681   -0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5154    0.2677    0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4557    0.9217    1.5796 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