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
-0.3806 3.2228 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3792 2.2637 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0751 0.5487 0.2914 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.3264 0.3174 -1.1987 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1534 -0.4788 0.8306 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4278 -0.5299 0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3412 -1.4151 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6312 -1.5004 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0497 -0.7071 -0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1391 0.1783 -1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8490 0.2625 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4855 0.2257 1.2047 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5960 -0.2593 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7729 -1.6093 0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8977 -2.0578 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8329 -1.1930 -0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6146 0.1401 -0.6178 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5123 0.6217 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0698 4.2490 0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2794 2.9602 -0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2764 2.4992 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0215 -2.0481 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3350 -2.2159 0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 -0.7860 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4669 0.8008 -2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1475 0.9541 -1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0412 -2.3338 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9952 -3.1465 -0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6989 -1.5624 -1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3186 0.8835 -1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3827 1.7156 0.1444 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