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
0.2109 1.7213 -3.4597 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4952 0.9486 -2.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0603 1.5189 -0.7866 P 0 0 0 0 0 5 0 0 0 0 0 0
0.6037 2.9064 -0.6055 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6664 1.6571 -0.7521 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4325 0.7133 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7000 0.9721 1.2599 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4531 0.0586 1.9627 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9344 -1.1001 1.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6394 -1.3089 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8931 -0.4189 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5213 0.4482 0.4299 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7450 -0.1294 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9061 -0.9930 1.6765 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1056 -1.6176 1.9103 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1942 -1.4185 1.0834 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0235 -0.5684 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8287 0.0559 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4439 1.4438 -4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2811 2.6933 -3.3391 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9814 0.0046 -2.6248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3299 1.8804 1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6744 0.2452 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5245 -1.8134 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0108 -2.2147 -0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6801 -0.6239 -1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0953 -1.1905 2.3591 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2651 -2.2956 2.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1570 -1.8977 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8585 -0.3976 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7241 0.7207 -1.0663 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