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
0.8770 4.0284 -0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6628 2.9717 0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0160 1.4426 -0.3205 P 0 0 0 0 0 5 0 0 0 0 0 0
0.2817 1.4193 -1.7930 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6422 0.1459 0.5301 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8139 -0.4984 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6906 -0.1922 -0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8540 -0.8745 -0.9438 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1929 -1.9170 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3497 -2.2562 0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1779 -1.5473 1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7144 1.5465 -0.1366 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5483 0.4717 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8510 -0.0432 1.2358 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7057 -1.1430 1.3536 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2427 -1.7074 0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9330 -1.1836 -1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0864 -0.0942 -1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2826 4.9200 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6577 4.0434 -1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9045 3.0290 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4427 0.6181 -1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5551 -0.6379 -1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1182 -2.4579 -0.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6222 -3.0802 1.5782 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5541 -1.8578 1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4583 0.3600 2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9577 -1.5631 2.3049 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9164 -2.5687 0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3693 -1.6460 -1.9102 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8804 0.2720 -2.1373 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