Monomers

2,4,5-Trichlorophenyl acrylate

Identifiers

IUPAC name
(2,4,5-trichlorophenyl) prop-2-enoate
InchI
InChI=1S/C9H5Cl3O2/c1-2-9(13)14-8-4-6(11)5(10)3-7(8)12/h2-4H,1H2
InchI Key
WPRNUAVQZCFEOA-UHFFFAOYSA-N
SMILES
Clc1cc(Cl)c(cc1OC(=O)C=C)Cl
Canonical SMILES
C=CC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl
Isomeric SMILES
C=CC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H5Cl3O2
Heavy Atom Count
14
Molecular Weight
251.496
Exact Molecular Weight
249.9355
Valence Electrons
74
Radical Electrons
0
tPSA
26.3
MolLogP
3.7382
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.2572    1.3319    2.2358 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541    0.5630    0.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5186    0.3634    1.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2146   -0.2394    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9456   -0.5008    0.1525 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4959   -0.6244   -1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1373   -0.4258   -1.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    0.1794   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9358    0.3963   -0.2562 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840   -0.5059    0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4573   -1.5899    0.6677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3106   -0.2240    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7284    0.8966   -0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586   -1.4005   -2.4189 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0595    0.6639    1.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5829   -0.7329   -2.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0371   -0.9459    0.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7772    1.1357   -0.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290    1.6595   -0.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
  6 14  1  0
  8  2  1  0
  3 15  1  0
  7 16  1  0
 12 17  1  0
 13 18  1  0
 13 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers