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
0.5944 -3.4174 1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8477 -2.7625 0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.2602 -0.4134 P 0 0 0 0 0 5 0 0 0 0 0 0
0.1206 -1.0565 -1.9072 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6088 0.0533 0.4473 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9105 0.5206 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8431 -0.0407 -0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1239 0.4667 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5388 1.5484 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6083 2.1113 0.9854 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3182 1.6031 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6598 -1.4610 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5714 -0.4291 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8705 -0.7164 0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8325 0.2906 0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5195 1.5868 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2202 1.8594 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2735 0.8731 -0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1232 -4.3174 1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1623 -3.0284 1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6079 -3.1572 -0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5174 -0.8908 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8500 0.0145 -1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5481 1.9302 0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9340 2.9624 1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6074 2.0634 1.7462 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2037 -1.7175 0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8424 0.0409 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2971 2.3354 0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9903 2.8882 -0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2453 1.1067 -0.6132 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