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
0.3433 -3.5283 0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5959 -2.4938 1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1950 -0.9375 0.8393 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.3060 -0.0946 2.0863 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7408 -1.3035 0.1874 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6171 -0.2732 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2894 1.0529 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1469 2.0909 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3782 1.7551 -0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7332 0.4276 -0.9985 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8530 -0.5823 -0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6610 -0.0614 -0.3547 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9698 0.3356 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3244 1.5496 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6212 1.9781 0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6310 1.1475 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3274 -0.0861 -0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0045 -0.4803 -0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3201 -3.4354 -0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8012 -4.4810 0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2789 -2.5712 2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3161 1.2943 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8451 3.1361 -0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0505 2.5438 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6925 0.1624 -1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1376 -1.6097 -0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5410 2.2251 0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8991 2.9351 0.8902 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6754 1.4692 0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1513 -0.7193 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7962 -1.4456 -1.1030 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