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
0.5894 4.6886 0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0030 3.5388 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5803 2.3414 0.0785 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4000 1.1763 -0.7399 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.8162 1.7632 -2.0714 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7960 0.8551 0.2037 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4217 -0.3811 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4294 -0.5692 -0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0656 -1.8111 -0.8797 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7129 -2.8468 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7160 -2.6709 0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0843 -1.4323 0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4584 -0.2708 -0.9178 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7470 -0.4834 -0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9594 -0.9773 0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2498 -1.1987 1.3104 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3321 -0.9135 0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1035 -0.4169 -0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8199 -0.1969 -1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5425 4.7427 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1203 5.5997 0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9530 3.5088 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7051 0.2412 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8470 -1.9357 -1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2223 -3.7937 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4086 -3.4543 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2933 -1.2442 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0921 -1.1901 1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3601 -1.5906 2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3249 -1.0717 0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9547 -0.1990 -1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6341 0.1923 -2.2507 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