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
1.6226 4.2742 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6462 3.3555 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6922 2.2751 0.5645 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2314 0.8798 0.2235 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.2717 0.5645 -1.2524 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5569 -0.4457 1.0087 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8659 -0.7248 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5366 -1.7786 1.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8288 -2.0557 0.8759 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4817 -1.2927 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8261 -0.2489 -0.6975 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5343 0.0307 -0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8419 1.0356 0.7650 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7594 -0.0072 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3838 -1.1700 -0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3181 -2.1666 -0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6319 -2.0258 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0111 -0.8613 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0598 0.1176 0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4720 4.1742 0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5466 5.1059 -0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2132 3.4714 -0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0126 -2.3621 1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3365 -2.8678 1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5005 -1.5276 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3432 0.3256 -1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0033 0.8464 -0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3893 -1.3207 -0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9950 -3.0766 -0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3214 -2.8452 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0232 -0.7277 1.1845 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3548 1.0486 1.5052 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