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
-1.1250 3.4010 0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6038 3.0897 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2124 1.5515 -0.5464 P 0 0 0 0 0 5 0 0 0 0 0 0
1.4164 1.8718 -1.4069 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7683 0.4736 -1.4128 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7988 -0.2627 -0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5123 -1.1012 -1.6944 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5586 -1.8597 -1.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9198 -1.8086 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2033 -0.9684 0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1600 -0.2120 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7767 0.7724 0.8649 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9347 0.0150 0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1584 0.6021 1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3568 -0.0948 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3449 -1.4577 0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1294 -2.0527 0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9530 -1.3398 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6116 4.3468 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0726 2.6923 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6650 3.8148 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2567 -1.1694 -2.7539 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1387 -2.5314 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7422 -2.4065 0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4388 -0.8810 2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5885 0.4503 1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2181 1.6522 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3040 0.3868 1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2335 -2.0530 0.5797 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1199 -3.0989 0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0056 -1.8224 0.2909 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