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
-1.1937 1.5469 -2.9356 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5289 0.5703 -3.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5664 0.0292 -2.8531 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6540 0.0163 -1.1282 P 0 0 0 0 0 5 0 0 0 0 0 0
1.3792 -1.2508 -0.7465 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9299 0.0514 -0.4738 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6568 -1.0989 -0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5858 -1.7719 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 -2.9294 1.1048 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1505 -3.4067 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2184 -2.7345 -1.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4684 -1.5889 -1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4597 1.4165 -0.6492 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0424 1.6010 0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6814 2.7870 0.8975 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2732 3.0127 2.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2512 2.0539 3.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6141 0.8650 2.8264 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0228 0.6444 1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8974 1.9396 -1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0468 1.9690 -3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8191 0.1746 -4.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9779 -1.4555 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3071 -3.4970 2.0454 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7486 -4.3077 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8548 -3.1043 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5356 -1.0723 -2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6984 3.5475 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7708 3.9500 2.3413 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7146 2.2283 4.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6029 0.1111 3.6206 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5251 -0.2968 1.3823 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