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
-0.7329 4.3517 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9213 3.0466 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1965 2.3145 0.5694 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0438 0.6057 0.4204 P 0 0 0 0 0 5 0 0 0 0 0 0
0.4329 0.3411 -0.9982 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2543 -0.2466 0.9923 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3125 -0.7952 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5010 -0.7340 -1.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6120 -1.3242 -1.6368 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5614 -1.9897 -0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3747 -2.0525 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2707 -1.4649 1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4229 0.2680 1.4168 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6248 -0.1348 0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8413 -1.4768 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0373 -1.9110 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9810 -0.9707 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7690 0.3782 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5564 0.8048 0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2769 5.0001 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0274 4.8563 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6560 2.6281 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7532 -0.2114 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6829 -1.2279 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4041 -2.4292 -1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1368 -2.5838 1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1896 -1.5566 2.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0857 -2.2173 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2466 -2.9578 0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9343 -1.3050 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4907 1.1331 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3975 1.8612 0.6441 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