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
0.8377 4.2609 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4512 3.2417 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0770 2.0763 -0.2693 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3805 0.6448 0.5127 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.4745 0.9368 1.5202 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0631 -0.4056 -0.6758 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 -0.9406 -0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5177 -2.1441 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7760 -2.7141 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8457 -2.0232 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6799 -0.8006 -0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4093 -0.2622 -1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8858 -0.1264 1.3251 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1521 -0.3130 0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1064 -0.9578 1.5474 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3788 -1.1587 1.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7252 -0.7229 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7780 -0.0756 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5052 0.1152 -0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8713 4.2161 -1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1306 5.1711 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4364 3.3405 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6897 -2.6860 0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9351 -3.6573 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8400 -2.4396 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5448 -0.2961 -1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3320 0.6824 -1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8628 -1.3142 2.5557 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1399 -1.6687 1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7248 -0.8820 -0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0175 0.2737 -1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7388 0.6290 -1.0689 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