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
-0.1771 4.3756 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5168 3.2563 -0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8006 2.3972 0.0324 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 1.2126 0.6119 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.2252 1.8199 1.6554 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6028 -0.0958 1.2643 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8561 -0.4241 0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0119 0.1263 1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2723 -0.1771 0.8093 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3869 -1.0793 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2613 -1.6598 -0.7757 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0075 -1.3351 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2705 0.5945 -0.6455 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1790 -0.4100 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0077 -0.9530 -1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9083 -1.9428 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0254 -2.4297 0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2091 -1.8946 1.2726 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2906 -0.8921 0.9775 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3908 5.0413 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5504 4.6442 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8807 3.0074 -1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9255 0.8362 2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1696 0.2850 1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3855 -1.3264 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3909 -2.3684 -1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1377 -1.7900 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8940 -0.5476 -2.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5484 -2.3545 -1.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7386 -3.2068 0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2513 -2.2345 2.3053 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6511 -0.4747 1.7452 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