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
-0.8630 4.3743 0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3162 3.5610 -0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8168 2.3029 -0.2936 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0339 0.8913 0.3388 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.3308 0.8630 1.8314 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5828 -0.4895 -0.4536 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8910 -0.8877 -0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6346 -0.4544 -1.6445 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9579 -0.8154 -1.8227 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5812 -1.6364 -0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8432 -2.0767 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5253 -1.7080 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6281 1.0826 0.0585 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5513 0.0743 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2819 -1.2414 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2783 -2.1837 0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5928 -1.8224 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8970 -0.5063 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8795 0.4240 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7215 4.0569 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5115 5.3780 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5337 3.9140 -0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1980 0.1828 -2.3826 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5576 -0.4866 -2.6606 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6177 -1.9349 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3616 -2.7265 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9977 -2.0768 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2553 -1.5097 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0240 -3.2191 0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3616 -2.5845 0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9236 -0.2117 -0.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1353 1.4667 -0.3810 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