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
    2.5747   -1.3930   -0.8051 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2429    0.2147   -0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460    0.3409    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549    1.3872    0.5485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1097   -0.6565   -0.2808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4694   -0.7185   -0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184    0.1694    0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968    0.9884   -0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7503    0.2308    0.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9035   -1.6729   -0.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9788    1.1141    0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3856   -0.0045    0.2554 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