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
   -0.0785   -2.7060    0.3545 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0767   -1.2833    0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3676   -1.2855    0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1850   -0.1911    0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8462   -0.1871    1.0235 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621    0.9172   -0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3676    0.9396   -0.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5735   -0.1574   -0.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7358   -0.2572   -0.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.1469   -0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3811    0.5800    0.9902 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1577    0.0926   -0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1122    0.4740    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7171    2.3077   -0.4516 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7332   -2.1597    1.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    1.7913   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4134   -0.2859   -1.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8963    0.8594    1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1346    0.4045    0.0145 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