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
-1.9884 4.2224 0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1043 3.4476 1.1397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1996 2.0825 1.0052 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0668 1.2848 -0.0340 P 0 0 0 0 0 5 0 0 0 0 0 0
0.6593 2.3046 -0.8975 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8531 0.2019 -1.0353 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7874 -0.7482 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1852 -0.9077 0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1192 -1.8601 1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6771 -2.6830 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2977 -2.5458 -1.2495 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3732 -1.5927 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1263 0.5589 0.9607 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3048 0.0299 0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4120 0.8112 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5896 0.2773 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6554 -1.0355 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5360 -1.8168 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3407 -1.2966 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8008 3.8094 -0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9556 5.3024 0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3111 3.8713 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7235 -0.2421 1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4003 -1.9484 2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4082 -3.4348 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7606 -3.2125 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0867 -1.4979 -2.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4115 1.8639 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4443 0.9300 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5721 -1.4232 -0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5863 -2.8575 -0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4606 -1.8953 0.1692 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