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
0.5624 4.9656 -0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4116 4.0146 -1.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2753 2.8402 -1.0039 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3153 1.6086 -0.0052 P 0 0 0 0 0 5 0 0 0 0 0 0
1.3964 2.2298 0.8842 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8705 0.9646 1.0135 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8320 0.0702 0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7349 -0.3667 1.5983 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7280 -1.2717 1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8308 -1.7593 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9380 -1.3357 -0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9463 -0.4236 -0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 0.3459 -0.8854 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7503 -0.6786 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3464 -1.6996 -0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0467 -2.7298 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1620 -2.7451 1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5827 -1.7448 1.7545 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8953 -0.7398 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1062 4.7821 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0980 5.8839 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8444 4.1590 -2.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6935 -0.0134 2.6186 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4055 -1.5775 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5968 -2.4692 -0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0260 -1.7256 -1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2690 -0.1210 -1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2637 -1.7008 -2.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4981 -3.5106 -0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7143 -3.5588 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6620 -1.7386 2.8455 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4398 0.0457 1.7119 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