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
0.2418 3.9095 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8830 3.3894 0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1399 2.0573 0.6330 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0760 0.8425 0.1593 P 0 0 0 0 0 5 0 0 0 0 0 0
0.4534 1.1995 -1.2276 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3032 0.7376 1.1810 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4015 0.0481 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3623 0.7289 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4627 0.0719 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6556 -1.2882 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6971 -1.9794 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5848 -1.3062 0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8017 -0.6639 0.0713 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0915 -0.9544 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0655 -0.0455 -0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3582 -0.4581 -0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7020 -1.7785 -0.9025 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7382 -2.7099 -0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4716 -2.2937 -0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0167 3.2828 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4675 4.9661 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6104 4.0582 1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2674 1.8093 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2075 0.6405 -1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5281 -1.7700 -0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8353 -3.0473 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8405 -1.8792 1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8175 0.9850 -0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0691 0.2983 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7148 -2.0444 -1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0513 -3.7490 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7347 -3.0572 -0.0088 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