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
   -0.8211   -3.3572   -0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0354   -2.3470   -0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0108   -1.2143    0.9834 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.8952   -1.7785    2.0643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4995    0.3142    0.4450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928    0.6558    0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7829   -0.2668    0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0800    0.1033   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3403    1.3871   -0.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3293    2.3058   -0.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0591    1.9401   -0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5585   -1.0223    1.6982 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452   -0.2212    0.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2617   -0.7867    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1559   -0.0625   -0.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111    1.3019   -0.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3996    1.9186    0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5270    1.1423    1.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5567   -3.4820    0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8417   -4.0823   -1.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7637   -2.2673   -1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5890   -1.2795    0.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8751   -0.6433   -0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3676    1.6675   -0.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5457    3.3120   -0.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2581    2.6911   -0.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165   -1.8506   -0.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7906   -0.5519   -1.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9030    1.8690   -1.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4779    3.0047    0.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989    1.5999    1.8747 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