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
1.0901 3.8755 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3117 3.2483 -0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 2.0885 -1.2585 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0858 0.6385 -0.8685 P 0 0 0 0 0 5 0 0 0 0 0 0
0.0462 -0.2989 -2.0462 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6810 -0.1168 0.4635 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9891 -0.5116 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -1.1231 1.4713 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9178 -1.5273 1.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6575 -1.3274 0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0725 -0.7231 -0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7402 -0.3213 -0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7036 1.0191 -0.5269 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6858 0.0753 -0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4129 -0.4006 -1.3663 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4061 -1.3377 -1.2306 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6747 -1.8128 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9827 -1.3726 1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9828 -0.4233 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7934 4.7793 0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0704 3.4610 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 3.6073 -0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0772 -1.3076 2.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4215 -2.0113 2.2488 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7000 -1.6618 0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6528 -0.5723 -1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3020 0.1510 -1.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1935 -0.0222 -2.3468 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9814 -1.7116 -2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4527 -2.5525 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1969 -1.7506 2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4209 -0.0573 1.7867 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