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
-1.8108 4.1187 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6299 3.5742 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4627 2.3520 0.6318 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1934 1.0294 -0.2350 P 0 0 0 0 0 5 0 0 0 0 0 0
1.2965 1.5842 -1.1319 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9571 0.2443 -1.1947 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9498 -0.5140 -0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1249 0.1272 -0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1328 -0.5867 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0219 -1.9300 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8419 -2.5581 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8043 -1.8597 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8521 -0.1019 0.8682 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1564 -0.5196 0.7125 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4836 -1.6312 -0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7933 -2.0319 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7903 -1.3219 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4649 -0.2050 1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1554 0.1841 1.3417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8963 5.0739 -0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6856 3.5711 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2493 4.0979 -0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2635 1.1925 -0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0433 -0.0844 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8475 -2.4771 1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7694 -3.6195 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8848 -2.3717 -0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6907 -2.1766 -0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0474 -2.9066 -0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8126 -1.6493 0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2505 0.3557 1.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8900 1.0401 1.9371 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