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
0.7682 4.2177 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3590 3.3191 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9385 2.0709 -1.1639 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0806 0.6337 -0.7459 P 0 0 0 0 0 5 0 0 0 0 0 0
0.0225 -0.2596 -1.9459 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7881 -0.1145 0.6050 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0523 -0.6622 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4851 -1.2359 1.8037 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7504 -1.8112 1.9066 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6115 -1.8236 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1580 -1.2460 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9064 -0.6737 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5082 1.1044 -0.3096 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5626 0.2095 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3215 -0.0190 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3819 -0.9087 -1.2782 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6965 -1.5692 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9287 -1.3245 1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8662 -0.4438 0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5553 3.9562 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3276 5.2162 -0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4264 3.5558 -1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8367 -1.2495 2.6865 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0811 -2.2617 2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5874 -2.2752 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8184 -1.2498 -1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5453 -0.2161 -1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0730 0.4953 -2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9544 -1.0651 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5216 -2.2648 -0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1608 -1.8374 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2705 -0.2672 1.8696 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