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
-1.4976 -3.4884 0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4700 -2.8044 0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0299 -1.2454 0.0518 P 0 0 0 0 0 5 0 0 0 0 0 0
0.2029 -0.2483 1.1806 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3711 -1.4129 -0.9247 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4246 -0.5359 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3991 -0.8851 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4696 -0.0142 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5217 1.1719 -0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5376 1.5122 -1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4749 0.6580 -1.4469 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2836 -0.6721 -0.9901 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1451 0.3196 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2840 -0.0757 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1648 0.8640 0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8722 2.1945 0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7249 2.6078 -0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8494 1.6735 -0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7676 -4.4398 0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0637 -3.0898 -0.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1276 -3.1610 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3428 -1.8192 0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2413 -0.2684 1.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3392 1.8887 -0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6069 2.4459 -1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6820 0.8788 -2.1488 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4883 -1.1093 0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0577 0.5415 1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5810 2.9233 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5278 3.6675 -0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9336 1.9225 -1.2212 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