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
-0.0452 4.7265 1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1312 3.9852 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6155 2.7993 -0.0791 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1781 1.4604 -0.8337 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.9510 2.0348 -2.0225 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9527 0.3555 -1.4583 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8862 -0.3125 -0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1167 0.2626 -0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0855 -0.3674 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8603 -1.5944 0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6112 -2.1419 0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6253 -1.5342 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2152 0.7660 0.3179 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9657 -0.3741 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7678 -0.8323 1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5335 -1.9804 0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5006 -2.6623 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6986 -2.2053 -1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9501 -1.0696 -1.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6222 5.6336 1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5926 4.4348 1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7774 4.3083 -0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3604 1.2356 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0609 0.0860 0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6144 -2.1112 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3999 -3.1167 1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6711 -2.0381 -0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8534 -0.3607 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1648 -2.3488 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0990 -3.5589 -0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6691 -2.7464 -2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3298 -0.7335 -1.9037 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