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
0.0050 4.3824 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3637 3.1647 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4748 2.0681 -0.4192 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1338 0.4684 -0.3465 P 0 0 0 0 0 5 0 0 0 0 0 0
0.4681 0.0042 -1.7492 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9790 -0.5336 0.4318 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3354 -0.5595 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9304 0.2487 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3045 0.1754 -0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1129 -0.6917 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5095 -1.4970 0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1526 -1.4217 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5579 0.5281 0.6331 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5804 -0.3769 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5522 -1.5225 1.2643 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5607 -2.4463 1.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6165 -2.2331 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6425 -1.0806 -0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6279 -0.1538 -0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6324 5.2439 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9900 4.5044 0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3517 3.0332 -0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3008 0.9310 -1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7496 0.8188 -1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1777 -0.7284 -0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1661 -2.1758 1.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7007 -2.0563 1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7364 -1.6880 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4843 -3.3321 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4207 -2.9556 0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4692 -0.8768 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6806 0.7585 -0.9638 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