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
-1.5206 4.1258 0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5473 3.3212 0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6523 1.9739 0.7457 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2868 0.8231 -0.1105 P 0 0 0 0 0 5 0 0 0 0 0 0
0.8054 1.4480 -1.3950 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6194 0.4146 0.8985 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6706 -0.3761 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6767 -1.7483 0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7379 -2.5081 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8349 -1.9114 -0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8379 -0.5409 -0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7647 0.2224 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5662 -0.5921 -0.4469 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9419 -0.7378 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4821 -1.1592 0.8622 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8544 -1.3219 1.0307 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7218 -1.0617 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1840 -0.6377 -1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8209 -0.4816 -1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3893 3.7631 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4520 5.1740 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3156 3.7147 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8354 -2.2523 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7354 -3.5898 0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6696 -2.5210 -0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7083 -0.0596 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8085 1.3022 -0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8152 -1.3717 1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2965 -1.6507 1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7981 -1.1776 0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8597 -0.4316 -2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4049 -0.1522 -2.3001 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