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
1.8852 -3.3669 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8648 -2.8153 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1704 -1.6240 0.3582 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.0142 -2.4016 1.3730 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7779 -0.5311 1.2251 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7951 0.2293 0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4966 1.0889 1.5433 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5335 1.8676 1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9065 1.8175 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2057 0.9585 -1.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1635 0.1744 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1529 -0.7656 -0.7282 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2629 -0.0452 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7292 0.0737 0.8954 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8573 0.8093 1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5413 1.4450 0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1108 1.3539 -1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9670 0.6036 -1.3884 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4993 -4.0828 -0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1187 -3.1037 1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6511 -3.0888 -1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2279 1.1519 2.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0696 2.5354 1.7094 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7190 2.4246 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4555 0.8744 -2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6055 -0.5067 -1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2057 -0.4158 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1887 0.8775 2.2314 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4273 2.0285 0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6647 1.8623 -1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6828 0.5710 -2.4256 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