Monomers

Phosphonic acid, ethenyl-, diphenyl ester

Identifiers

IUPAC name
[ethenyl(phenoxy)phosphoryl]oxybenzene
InchI
InChI=1S/C14H13O3P/c1-2-18(15,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h2-12H,1H2
InchI Key
VLHORJVZAKSXHV-UHFFFAOYSA-N
SMILES
C=CP(=O)(Oc1ccccc1)Oc1ccccc1
Canonical SMILES
C=CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Isomeric SMILES
C=CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C14H13O3P
Heavy Atom Count
18
Molecular Weight
260.229
Exact Molecular Weight
260.0602
Valence Electrons
92
Radical Electrons
0
tPSA
35.53
MolLogP
4.481
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.3232   -3.8007   -0.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910   -2.5567   -1.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794   -1.2363   -0.1018 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.0222   -1.5547    1.3847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371   -1.1991   -0.4927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5973   -0.1944   -0.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1852    0.8952    0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1383    1.8647    0.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4510    1.7667    0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8549    0.6573   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172   -0.3056   -0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336    0.2721   -0.4595 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557    0.5652   -0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8708   -0.3126    0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1948    0.0031    0.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6428    1.2623    0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7351    2.1739   -0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183    1.8197   -0.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4385   -4.0058   -0.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862   -4.6029   -1.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4598   -2.3398   -1.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1662    0.9846    0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    2.7205    1.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1795    2.5300    0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9010    0.5744   -0.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2609   -1.1725   -1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5290   -1.2940    0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990   -0.7078    0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6701    1.4976    0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1293    3.1373   -0.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580    2.5584   -0.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  3 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 11  6  1  0
 18 13  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 15 28  1  0
 16 29  1  0
 17 30  1  0
 18 31  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers