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
-0.3993 3.3084 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5210 2.1224 0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1687 0.6709 -0.3433 P 0 0 0 0 0 5 0 0 0 0 0 0
1.0646 1.1241 -1.4739 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1131 -0.2459 0.7835 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4058 -0.5822 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4315 0.2544 0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7591 -0.0600 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0351 -1.2414 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0249 -2.0918 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6960 -1.7516 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0211 -0.3378 -0.9901 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3117 -0.4127 -0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6434 -1.3161 0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9338 -1.3998 0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9204 -0.5858 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6094 0.3224 -0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3049 0.3923 -1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1182 3.4019 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8099 4.1742 0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0501 2.0524 1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2594 1.1921 1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5203 0.6226 0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0597 -1.4790 -0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2426 -3.0090 -0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9536 -2.4704 -0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8546 -1.9627 0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1519 -2.1207 1.6941 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9429 -0.6449 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3604 0.9823 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0178 1.0912 -1.8215 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