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
-0.4033 3.1716 0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1406 2.4393 -0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0167 0.6483 -0.5319 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.3029 0.1052 0.8638 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3465 0.1782 -1.5180 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5220 -0.3188 -0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6859 -1.6713 -0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8749 -2.1744 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8847 -1.2999 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7480 0.0420 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5500 0.5276 -0.6547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3867 0.0032 -1.1990 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5595 -0.2541 -0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6043 -0.7927 -1.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8191 -1.0759 -0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0355 -0.8377 0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0042 -0.3041 1.4013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7867 -0.0227 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2878 4.2445 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9729 2.6955 1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7143 2.9048 -1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8988 -2.3759 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0398 -3.2152 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8157 -1.6648 0.4979 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5389 0.7399 0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4134 1.5749 -0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4597 -0.9911 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6524 -1.4946 -1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9892 -1.0632 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1588 -0.1094 2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9911 0.3907 1.3684 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