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
0.3232 -3.8007 -0.7979 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 -2.5567 -1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0794 -1.2363 -0.1018 P 0 0 0 0 0 5 0 0 0 0 0 0
0.0222 -1.5547 1.3847 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7371 -1.1991 -0.4927 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5973 -0.1944 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1852 0.8952 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1383 1.8647 0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4510 1.7667 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8549 0.6573 -0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9172 -0.3056 -0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6336 0.2721 -0.4595 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9557 0.5652 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8708 -0.3126 0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1948 0.0031 0.5328 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6428 1.2623 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7351 2.1739 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4183 1.8197 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4385 -4.0058 -0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7862 -4.6029 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4598 -2.3398 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1662 0.9846 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8125 2.7205 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1795 2.5300 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9010 0.5744 -0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2609 -1.1725 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5290 -1.2940 0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8990 -0.7078 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6701 1.4976 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1293 3.1373 -0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7580 2.5584 -0.9907 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