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
-0.4039 4.5405 -0.6508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1066 3.2982 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6232 2.2065 -0.9904 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1467 0.6816 -1.0453 P 0 0 0 0 0 5 0 0 0 0 0 0
0.9848 0.6530 -2.3266 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9416 -0.6060 -1.1247 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1295 -0.7012 -0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9036 -1.8281 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1162 -1.9991 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5827 -1.0286 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8117 0.0990 1.0571 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5902 0.2782 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2481 0.5536 0.2561 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3461 -0.3065 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1585 -1.5862 0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2358 -2.4641 0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4640 -2.0811 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6378 -0.7801 -0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5732 0.0886 -0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0002 5.3755 -0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0669 4.7754 -1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5582 3.1272 0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5484 -2.6071 -1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7205 -2.8989 -0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5421 -1.1674 1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2052 0.8620 1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0169 1.1743 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2325 -1.9540 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1113 -3.4622 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2828 -2.7959 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6220 -0.5261 -0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7073 1.0790 -0.6335 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