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
   -2.3020    1.7577   -0.0321 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2635    0.0112   -0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037   -0.5416   -0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7497   -1.7731   -0.3815 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090    0.2673   -0.2026 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4962   -0.2342   -0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5154    0.6094   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448   -0.2688   -1.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7840   -0.5157    0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7314   -1.2877   -0.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3553    1.6833   -0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5404    0.2921   -0.2416 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