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
cid=

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
   -1.5884    3.6783    0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5918    3.1288   -0.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0494    1.5081    0.0198 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.3799    1.2158    1.4373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134    0.3728   -0.9950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8158   -0.3680   -0.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1101    0.0895   -0.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1846   -0.6831   -0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9633   -1.9039    0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6943   -2.3600    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6091   -1.5820   -0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7238    1.5544   -0.1597 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715    0.4642   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208    0.1546    1.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9726   -0.9362    1.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2926   -1.7406    0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7546   -1.4480   -0.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9063   -0.3571   -1.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0604    3.1987    1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9447    4.6467   -0.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149    3.6073   -1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2186    1.0418   -1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1792   -0.3058   -0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8018   -2.5111    0.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5329   -3.3026    0.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6146   -1.9698    0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8706    0.7890    2.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4052   -1.1780    2.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9532   -2.5863    0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100   -2.0907   -1.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4868   -0.1269   -2.0287 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