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
-1.2818 3.0135 -2.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6963 1.8909 -2.7031 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0641 0.7038 -1.5289 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.4861 -0.6779 -2.0376 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6330 0.8227 -1.4428 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4129 0.2383 -0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8808 -1.0484 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6689 -1.6668 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9779 -1.0157 1.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5303 0.2487 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7403 0.8725 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8097 1.0308 -0.0152 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7542 0.1464 0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1095 0.2813 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0407 -0.6081 0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6191 -1.6362 1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2756 -1.8327 1.7745 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3745 -0.9097 1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4018 3.2588 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6559 3.7155 -3.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5904 1.6723 -3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6242 -1.5356 -1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0226 -2.6764 -0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5963 -1.5022 2.1226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7885 0.7519 2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3585 1.8757 0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3751 1.1216 -0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0828 -0.4978 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3406 -2.3357 1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9614 -2.6597 2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3147 -1.0417 1.5073 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