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
0.0197 4.2993 -0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4152 3.0470 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6950 2.4573 0.5902 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1020 0.9802 0.9394 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.0523 0.7411 2.4315 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5585 -0.3165 0.0797 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9218 -0.6232 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7321 0.1759 0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0771 -0.1034 0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5700 -1.1849 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7716 -1.9890 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4200 -1.6966 -0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7439 1.1772 0.4358 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5458 0.0450 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2846 -0.3840 1.4431 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0696 -1.5020 1.3651 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1114 -2.2054 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3795 -1.7981 -0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5982 -0.6714 -0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2067 4.7931 -1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0841 4.8667 0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 2.4271 -1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3163 1.0056 1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7273 0.5153 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6174 -1.4044 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1850 -2.8343 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7554 -2.3037 -1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2680 0.1531 2.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6684 -1.8547 2.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7535 -3.0975 0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4362 -2.3716 -1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0150 -0.3432 -1.6706 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