Monomers

Allyl trichloroacetate

Identifiers

IUPAC name
prop-2-enyl 2,2,2-trichloroacetate
InchI
InChI=1S/C5H5Cl3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2
InchI Key
LJQCONXCOYBYIE-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(Cl)(Cl)Cl
Canonical SMILES
C=CCOC(=O)C(Cl)(Cl)Cl
Isomeric SMILES
C=CCOC(=O)C(Cl)(Cl)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H5Cl3O2
Heavy Atom Count
10
Molecular Weight
203.452
Exact Molecular Weight
201.9355
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
2.0858
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
    3.0483   -0.3773   -0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8775   -0.8434   -0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7309    0.0656   -0.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3665   -0.2724    0.1114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5503    0.4140    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6370    1.3632   -0.7741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7106    0.0807    0.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0467    1.1949    0.5839 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3124   -1.5726    0.5840 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2518    0.1537    2.6685 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -1.0471    0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2351    0.6782    0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717   -1.9121   -0.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003    1.1188   -0.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3364   -0.1111   -1.7871 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
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers