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
   -0.0333    0.7710    1.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2579    0.8562    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0313   -0.5847   -0.4722 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.1136   -0.2280   -1.9372 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617   -1.5953   -0.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983   -0.9344   -0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276   -0.8002   -1.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540   -0.1405   -1.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0090    0.3699   -0.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3850    0.2405    0.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1603   -0.4212    0.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -1.3585    0.0921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6456   -0.7144    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7018    0.5410   -0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8852    1.2353   -0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0365    0.6350   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9919   -0.6331    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8103   -1.3303    0.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1240    1.6161    2.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338   -0.1273    2.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6570    1.7654    0.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7851   -1.2018   -2.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9723   -0.0155   -2.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9512    0.8862   -0.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    0.6380    1.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6396   -0.5435    1.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8048    1.0608   -0.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8786    2.2377   -1.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9641    1.1893   -0.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9115   -1.0891    0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7338   -2.3247    0.8902 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