Monomers
Diphenyl vinyl phosphate
Identifiers
IUPAC name
ethenyl diphenyl phosphate
InchI
InChI=1S/C14H13O4P/c1-2-16-19(15,17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h2-12H,1H2
InchI Key
RJYNTEFVOZNXEM-UHFFFAOYSA-N
SMILES
C=COP(=O)(Oc1ccccc1)Oc1ccccc1
Canonical SMILES
C=COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Isomeric SMILES
C=COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H13O4P
Heavy Atom Count
19
Molecular Weight
276.228
Exact Molecular Weight
276.0551
Valence Electrons
98
Radical Electrons
0
tPSA
44.76
MolLogP
4.4126
H Bond Acceptors
4
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
32 33 0 0 0 0 0 0 0 0999 V2000
0.0912 4.9492 -0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5859 3.8270 -0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0164 2.5858 -0.8366 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3055 1.3435 0.3288 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.0216 1.9753 1.4689 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2203 0.7403 0.8092 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0781 0.0676 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7439 -0.1681 -1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6148 -0.8595 -2.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8298 -1.3010 -1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1683 -1.0645 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2794 -0.3782 0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1785 0.1268 -0.4498 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9315 -0.8394 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5930 -1.7730 -0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3689 -2.7742 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4975 -2.8572 1.3607 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8454 -1.9361 2.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0769 -0.9465 1.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3823 5.9011 -0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1718 4.8863 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6601 3.8584 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8027 0.1792 -1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3227 -1.0297 -3.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5288 -1.8363 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0864 -1.3835 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5167 -0.1773 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5352 -1.7644 -1.6654 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8929 -3.5124 -0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0998 -3.6348 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9412 -1.9942 3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5548 -0.2101 2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
4 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
12 7 1 0
19 14 1 0
1 20 1 0
1 21 1 0
2 22 1 0
8 23 1 0
9 24 1 0
10 25 1 0
11 26 1 0
12 27 1 0
15 28 1 0
16 29 1 0
17 30 1 0
18 31 1 0
19 32 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers