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
-0.2153 3.9780 -0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5966 2.8343 -0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9813 1.7455 -0.1245 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0082 0.3322 -0.2177 P 0 0 0 0 0 5 0 0 0 0 0 0
0.4878 0.1662 -1.6183 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8313 -1.0382 0.3733 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2317 -1.0876 0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9111 -0.6420 1.5094 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2891 -0.6904 1.5365 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9608 -1.1951 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2703 -1.6393 -0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8894 -1.5849 -0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3710 0.5848 0.7887 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5639 -0.0184 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4260 0.6587 -0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6114 0.0746 -0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9932 -1.1842 -0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0880 -1.8338 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8902 -1.2746 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1960 4.0875 0.6776 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0722 4.7894 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6180 2.7189 -1.9777 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4000 -0.2485 2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8769 -0.3542 2.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0451 -1.2558 0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7695 -2.0363 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3442 -1.9268 -1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1451 1.6673 -0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2671 0.6667 -1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9278 -1.6119 -0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3673 -2.8392 0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2076 -1.8432 1.5252 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