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
    2.6486   -0.3428   -1.4950 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    0.0408    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759   -0.4775    0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773   -1.6374    0.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2249    0.3440    0.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4794   -0.1492    0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5104    0.6570    0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848   -0.3295    0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2577    1.1622    0.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5901   -1.1748    1.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4835    0.2663    0.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3871    1.6411    0.1802 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