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
0.9217 4.2718 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5183 3.7187 -0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0748 2.4977 -0.8269 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1278 1.0734 -0.9203 P 0 0 0 0 0 5 0 0 0 0 0 0
0.2974 0.3545 -2.2227 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5801 0.0373 0.3895 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7289 -0.7292 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6380 -1.9949 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7895 -2.7660 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 -2.2354 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0500 -0.9648 0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9121 -0.1778 0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5218 1.4770 -0.6758 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3886 0.4055 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0340 -0.2785 -1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8915 -1.3341 -1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1097 -1.7189 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4777 -1.0540 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6257 -0.0012 0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6728 3.8045 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4979 5.2083 1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2361 4.2146 -1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6967 -2.4076 -0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7144 -3.7596 -0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8966 -2.8211 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9692 -0.5198 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9527 0.8297 1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8236 0.0706 -2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3773 -1.8433 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7779 -2.5441 0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6530 -1.3605 2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1094 0.5472 1.6982 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