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
-0.6385 -3.7234 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3228 -3.5880 -1.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1269 -2.3708 -1.5238 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0375 -0.9503 -0.5855 P 0 0 0 0 0 5 0 0 0 0 0 0
0.1412 0.2244 -1.5330 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2105 -0.9446 0.5735 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3484 -0.1569 0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4618 -0.6404 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5793 0.1627 -0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5690 1.4523 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4590 1.9332 0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3457 1.1493 0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -0.9048 0.1969 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3725 0.1851 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2778 1.1090 1.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1584 2.1704 1.2347 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0984 2.3332 0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1726 1.3842 -0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3092 0.3254 -0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9986 -4.6832 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5512 -2.9044 0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4207 -4.4251 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4388 -1.6606 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4310 -0.2433 -1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4472 2.0961 -0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5216 2.9643 0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5024 1.5672 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5372 0.9903 2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0876 2.8920 2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7868 3.1584 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9102 1.5218 -1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3623 -0.4238 -1.5576 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