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
   -3.0720   -0.5587   -1.2384 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1674   -0.1855    0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717    0.1031   -0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4253    0.0529   -1.3349 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1993    0.4347    0.8208 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4744    0.6891    0.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3581   -0.2850    0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2078   -1.1153    0.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6346    0.6244    0.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8297    1.6749    0.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3761   -0.1548    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0412   -1.2798    0.5899 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