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
-0.4083 3.9927 -0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2484 3.6996 0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3651 2.4215 1.4379 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2271 1.0232 0.6733 P 0 0 0 0 0 5 0 0 0 0 0 0
0.5397 1.2436 -0.7682 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8719 -0.2437 0.9386 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0115 -0.4685 0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4392 0.2986 -0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6157 -0.0054 -1.5251 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3769 -1.1020 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9545 -1.8648 -0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7975 -1.5492 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6994 0.5948 1.4802 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5041 -0.3564 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4827 0.0193 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2869 -0.9462 -0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0799 -2.2720 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1195 -2.6774 0.5936 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3267 -1.6876 1.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3034 5.0063 -0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6447 3.2353 -1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 4.4915 1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8417 1.1416 -1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9323 0.6049 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3023 -1.3590 -1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5483 -2.7181 0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5069 -2.2007 1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6709 1.0479 -0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0393 -0.6363 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6970 -3.0400 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9385 -3.7055 0.8613 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -1.9880 1.8700 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