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
0.3330 2.8232 -1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4872 1.8367 -1.9845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1540 0.5336 -1.5753 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0989 0.1744 0.0832 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.2215 -1.3413 0.1761 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2616 0.6117 1.0262 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4900 0.0811 0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6516 -0.7705 -0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8728 -1.2968 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -0.9768 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8424 -0.1261 1.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6222 0.3961 1.3826 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5356 0.8512 0.6679 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7162 0.1321 0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1201 -0.7440 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2879 -1.4683 1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1125 -1.3558 0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7151 -0.4887 -0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5469 0.2300 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0340 2.6516 -0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5895 3.8364 -1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8538 2.0107 -2.9715 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8033 -1.0526 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9823 -1.9735 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9779 -1.3737 -0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7054 0.1450 1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4854 1.0693 2.2297 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5215 -0.8757 2.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5769 -2.1418 2.2161 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0312 -1.9136 0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3463 -0.3924 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2444 0.9082 -1.3449 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