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
-1.1608 3.8118 -1.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5792 2.6615 -1.3626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1158 1.6768 -0.0483 P 0 0 0 0 0 5 0 0 0 0 0 0
0.9929 2.6177 0.7735 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9706 0.3992 -0.7111 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0851 -0.2128 -0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6108 -1.2686 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7347 -1.9459 -0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3904 -1.6169 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8823 -0.5763 1.3141 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7553 0.1029 0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1546 1.1764 0.9835 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0124 0.1357 0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7467 -1.1700 1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6318 -2.1938 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7986 -1.9472 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0650 -0.6439 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1881 0.3625 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2396 4.1966 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6002 4.4489 -1.8406 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5402 2.3476 -2.3909 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1339 -1.5650 -1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1000 -2.7642 -1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2841 -2.1644 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4262 -0.3389 2.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3920 0.8981 1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8366 -1.3832 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4263 -3.2224 0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4830 -2.7512 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9922 -0.4595 -0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4190 1.3887 -0.3124 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