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
1.7284 4.3885 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 3.9665 1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2711 3.1396 0.6355 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1636 1.5707 -0.0011 P 0 0 0 0 0 5 0 0 0 0 0 0
1.1708 1.8601 -1.1007 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0950 0.8338 1.2644 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7912 -0.3377 0.9401 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5601 -0.9755 1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2653 -2.1277 1.6583 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2196 -2.6819 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4617 -2.0623 -0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7592 -0.9054 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1249 0.7402 -0.3338 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1147 -0.0057 -0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4635 0.3124 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4890 -0.5145 -0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2539 -1.7165 -1.3658 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9538 -2.0758 -1.6405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9192 -1.2428 -1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4641 5.0352 0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8612 4.0549 -0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5303 4.3115 2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5675 -0.5057 2.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8581 -2.5982 2.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7642 -3.5921 0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4379 -2.5186 -1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1753 -0.4470 -1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6162 1.2583 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5350 -0.2433 -0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0846 -2.3367 -1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8078 -3.0281 -2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8934 -1.5561 -1.5206 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