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
   -2.9958    1.6739   -0.0090 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1773    0.0981   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7337    0.2648    0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2901    1.4058    0.4872 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552   -0.8008    0.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4825   -0.5645    0.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290   -0.2603   -0.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6906   -0.5640    0.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3219   -0.3788   -1.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8832   -0.6115    1.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9883   -0.1973   -1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3714   -0.0653   -0.3073 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