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
0.0162 3.3092 0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0906 1.9886 0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0255 1.1759 -0.7764 P 0 0 0 0 0 5 0 0 0 0 0 0
0.9006 1.9362 -1.7582 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5356 1.0113 -1.5105 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4490 0.2058 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5219 -1.1303 -1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4498 -1.9181 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2847 -1.3287 0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2179 0.0111 0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2836 0.7617 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6734 -0.3771 -0.5828 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0076 -0.5860 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9263 0.4280 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2484 0.0921 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6264 -1.2275 0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7115 -2.2383 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4090 -1.9175 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0509 3.8336 1.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1750 3.8868 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2510 1.4321 1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8688 -1.6073 -1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5059 -2.9700 -0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0116 -1.9223 0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8698 0.4575 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2489 1.8277 0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6121 1.4524 -0.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9568 0.8973 0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6594 -1.4630 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 -3.2811 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7029 -2.7402 -0.2789 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