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
0.4377 1.3601 0.8191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2079 0.0705 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1024 -0.9938 -0.4261 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.5427 -2.3579 0.0502 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3218 -1.0903 -1.3529 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5355 -0.5472 -0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9122 0.7413 -1.2426 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1141 1.2538 -0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9561 0.4605 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6341 -0.8407 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4190 -1.3263 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3325 -0.3196 -1.4080 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5957 -0.1700 -0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9870 0.9704 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2605 1.0961 0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1443 0.0405 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7591 -1.1022 -0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5009 -1.2065 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4497 1.8267 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6205 1.9708 1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2043 -0.3519 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2534 1.3699 -1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4378 2.2659 -1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9284 0.8276 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3157 -1.4654 0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1241 -2.3441 0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2870 1.8026 -0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5320 2.0082 0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1417 0.1334 0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4504 -1.9470 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2359 -2.1356 -1.4781 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