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
    2.3216    1.7401    0.4643 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1996    0.0630   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229   -0.4354   -0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4568   -1.5765   -0.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1526    0.4237    0.4616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744    0.0358    0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3682    0.1886   -0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6403    0.0206   -1.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8435   -0.5486    0.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -0.4174    1.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1236    0.6383   -1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3900   -0.1322   -0.2444 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