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
0.0695 3.8329 -0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1596 3.2903 0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7588 2.0425 0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0852 0.7275 -0.4206 P 0 0 0 0 0 5 0 0 0 0 0 0
0.5746 1.1399 -1.7917 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9782 -0.6159 -0.6421 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2492 -0.6231 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2991 -0.1087 -0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5666 -0.0954 -0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8139 -0.6074 1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7562 -1.1266 1.7409 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 -1.1300 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3733 0.2558 0.5625 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4263 -0.5338 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3910 -0.8053 1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4519 -1.5924 0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5798 -2.1031 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6209 -1.8261 -1.4061 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5356 -1.0374 -1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5425 4.8214 -0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1876 3.3499 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1247 3.8322 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1269 0.2859 -1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4321 0.2956 -0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8095 -0.5899 1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9133 -1.5284 2.7287 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6848 -1.5383 1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2952 -0.4033 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2020 -1.8017 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4189 -2.7266 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7258 -2.2376 -2.4176 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8110 -0.8430 -1.8502 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