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
-0.8175 3.9233 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8973 2.6124 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1511 1.5148 -0.7343 P 0 0 0 0 0 5 0 0 0 0 0 0
0.5900 2.3011 -1.9723 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4745 1.0888 0.2148 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3690 0.0908 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4065 -0.1425 0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3355 -1.1626 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1857 -1.9281 -0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1535 -1.7267 -1.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2434 -0.6954 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7523 0.1897 -1.2837 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8448 -0.3355 -0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1004 0.1286 -0.9297 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2060 -0.4150 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0179 -1.4153 0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7638 -1.8882 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6876 -1.3301 0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4687 4.5398 0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0945 4.3804 -0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6285 2.1272 0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5616 0.4391 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1529 -1.3360 1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8833 -2.7263 -0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0287 -2.3346 -2.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4220 -0.4914 -1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2860 0.9156 -1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2192 -0.0886 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8817 -1.8523 1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5935 -2.6647 1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6978 -1.7185 0.5211 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