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
-0.2579 4.1399 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8351 3.4057 0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8483 2.0549 0.6670 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1894 0.9280 -0.0424 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.5118 1.2511 -1.4918 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6937 0.8121 0.7885 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5295 -0.2427 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4361 -1.4695 1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2758 -2.4922 0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2011 -2.3358 -0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2807 -1.0980 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4531 -0.0839 -0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5279 -0.6227 -0.0137 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9229 -0.6994 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4875 -0.8023 -1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8432 -0.8827 -1.5634 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6499 -0.8558 -0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0966 -0.7520 0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7332 -0.6730 0.9908 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2031 5.1910 0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2069 3.6590 0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7752 3.8771 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7272 -1.6605 1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2142 -3.4761 1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8555 -3.1157 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0028 -0.9258 -1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5005 0.8916 -1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8358 -0.8211 -2.2162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2278 -0.9624 -2.5672 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7269 -0.9168 -0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7398 -0.7306 1.7086 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2891 -0.5915 1.9732 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