Monomers

Allyl dichloroacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dichloroacetate
InchI
InChI=1S/C5H6Cl2O2/c1-2-3-9-5(8)4(6)7/h2,4H,1,3H2
InchI Key
UJUPTENXDPFFDP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(Cl)Cl
Canonical SMILES
C=CCOC(=O)C(Cl)Cl
Isomeric SMILES
C=CCOC(=O)C(Cl)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H6Cl2O2
Heavy Atom Count
9
Molecular Weight
169.007
Exact Molecular Weight
167.9745
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5193
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

 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.7693   -0.4031    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6285   -0.2225   -0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8108    0.9700   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847    0.6677    0.4798 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3532   -0.0726   -0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9553   -0.4550   -1.4189 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7391   -0.4177    0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -1.3669    1.6827 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6595    1.0739    0.5466 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1475    0.2902    1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522   -1.2817    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2871   -0.9497   -1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7443    1.5346   -0.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.6291    0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2376   -0.9964   -0.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers