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
-1.0727 4.0739 -1.8373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5444 3.2837 -0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9270 1.9491 -0.7821 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1424 0.8665 -0.0356 P 0 0 0 0 0 5 0 0 0 0 0 0
0.7062 1.5613 1.1972 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5708 -0.5761 0.4566 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9097 -0.8524 0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6718 -0.6010 1.6232 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0227 -0.8796 1.6672 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6670 -1.4280 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9253 -1.6839 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5640 -1.3991 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4847 0.4978 -1.0411 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5488 -0.2026 -0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6018 0.4664 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6717 -0.2119 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7186 -1.5894 0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6606 -2.2618 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5964 -1.5805 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8294 3.7278 -2.5368 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7781 5.1064 -1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2025 3.7147 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1906 -0.1754 2.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6413 -0.6921 2.5348 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7328 -1.6553 0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4356 -2.1149 -1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9774 -1.6071 -1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6005 1.5453 0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5031 0.3205 1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5452 -2.1424 1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7061 -3.3426 0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7720 -2.1172 -0.9725 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