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
   -2.7803   -0.9011   -1.0383 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2005    0.2303    0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7029    0.2404    0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1468    0.9932    1.0785 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0648   -0.5366   -0.5700 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4215   -0.6105   -0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2913    0.0415    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6384    0.0090    1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5844    1.2347   -0.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8271   -1.3168   -1.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790    0.7512    0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3697   -0.1353   -0.0499 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