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
    2.8001   -1.3485   -0.1028 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1377    0.1435    0.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6669    0.2625    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0771    1.2815    0.7349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0253   -0.6747   -0.3776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3482   -0.6967   -0.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2360    0.2232   -0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3490    0.1495    1.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281    1.0219    0.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7352   -1.5684   -1.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855    0.0949   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0288    1.1113    0.1554 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