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
0.2079 1.5070 3.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1500 0.9616 1.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3140 -0.7357 1.7135 P 0 0 0 0 0 5 0 0 0 0 0 0
0.0747 -1.5987 2.9004 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4205 -1.3853 0.2983 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6516 -0.9974 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7911 -1.6502 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0519 -1.2760 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1142 -0.2090 -1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9775 0.4394 -1.5067 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7318 0.0531 -1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0240 -0.8524 1.4569 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4906 -0.3262 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5683 -1.1323 -0.8582 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0311 -0.6130 -2.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4181 0.7095 -2.1376 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3301 1.4938 -1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8708 0.9987 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0320 0.9187 4.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4871 2.5367 3.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3968 1.5867 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7253 -2.4844 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9519 -1.7616 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0754 0.1003 -1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0204 1.2597 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 0.5591 -1.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2636 -2.1876 -0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0882 -1.2543 -2.9205 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7825 1.1449 -3.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6281 2.5511 -1.0333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8093 1.6440 1.0884 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