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
-1.2318 4.4078 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4178 3.4359 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1507 2.4094 0.7476 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1494 0.7942 0.1964 P 0 0 0 0 0 5 0 0 0 0 0 0
0.1847 -0.0967 1.3888 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6630 0.8341 -0.6318 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6655 -0.0162 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5538 0.3967 0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5856 -0.4139 1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6803 -1.6577 0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7971 -2.1118 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7783 -1.2625 -0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0383 0.3537 -0.9209 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1699 -0.3947 -0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1309 -1.7709 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2411 -2.5644 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4226 -1.9743 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4840 -0.5955 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3600 0.1810 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4850 5.2455 -0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6905 4.4113 1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 3.5036 -1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4936 1.3778 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2979 -0.1250 1.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4748 -2.3028 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9499 -3.0983 -0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1084 -1.6446 -1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2093 -2.2386 -1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2069 -3.6385 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3200 -2.5491 0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4151 -0.1420 0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4089 1.2465 -0.1416 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