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
0.2446 2.0523 -2.9373 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 1.1105 -2.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1369 0.6895 -0.6595 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.1503 1.9285 0.2058 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7455 0.3077 -1.0759 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6821 -0.0219 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9639 -0.3188 -0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9213 -0.6520 0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5589 -0.6760 1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2823 -0.3817 2.1942 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3329 -0.0499 1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6250 -0.5532 0.2044 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0092 -0.5714 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6815 0.0520 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0608 0.0250 1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8228 -0.6331 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1670 -1.2604 -0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 -1.2281 -0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6828 2.5655 -2.7078 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 2.3623 -3.8642 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6813 0.6442 -2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2097 -0.2891 -1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9322 -0.8881 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2931 -0.9333 2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 -0.4005 3.2356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3111 0.1944 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0761 0.5648 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5726 0.5179 2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9092 -0.6602 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7813 -1.7716 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2993 -1.7254 -1.4406 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