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
0.3692 2.2839 -0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3196 1.7428 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1106 0.0335 0.7765 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.9494 -0.0552 2.0528 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9621 -0.6311 -0.5511 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3360 -0.6454 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9652 -1.7341 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3500 -1.7698 0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0566 -0.7038 -0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4661 0.4120 -0.9221 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0729 0.4070 -0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2737 -0.9416 1.0335 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4550 -0.6062 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7578 -1.0990 -0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9290 -0.7910 -1.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8164 0.0543 -0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5093 0.5551 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3384 0.2338 1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6351 3.3221 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1501 1.7202 -1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5465 2.3457 1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4357 -2.6006 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8674 -2.6151 0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1575 -0.6771 -0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0415 1.2429 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6194 1.2875 -1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0697 -1.7657 -1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1935 -1.1664 -2.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7487 0.3302 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2161 1.2259 0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0621 0.6054 2.0344 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