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
   -1.1250    3.4010    0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6038    3.0897   -0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124    1.5515   -0.5464 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.4164    1.8718   -1.4069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7683    0.4736   -1.4128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7988   -0.2627   -0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5123   -1.1012   -1.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5586   -1.8597   -1.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9198   -1.8086    0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2033   -0.9684    0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1600   -0.2120    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7767    0.7724    0.8649 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9347    0.0150    0.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    0.6021    1.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3568   -0.0948    0.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3449   -1.4577    0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1294   -2.0527    0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530   -1.3398    0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6116    4.3468    1.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0726    2.6923    1.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6650    3.8148   -0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2567   -1.1694   -2.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1387   -2.5314   -1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7422   -2.4065    0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4388   -0.8810    2.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885    0.4503    1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    1.6522    1.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3040    0.3868    1.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2335   -2.0530    0.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199   -3.0989    0.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0056   -1.8224    0.2909 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