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
0.9222 3.7962 1.9633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6521 2.9222 1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0010 1.5940 1.2400 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0201 0.3147 0.6690 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.2435 -0.6021 1.8492 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4585 0.9922 0.0804 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6225 0.2862 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7204 -1.0566 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9137 -1.7464 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0034 -1.0670 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9387 0.2799 -0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7347 0.9400 -0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7915 -0.4398 -0.6093 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1110 -0.8361 -0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9465 -0.6675 0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2598 -1.0919 0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7959 -1.6984 -0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9563 -1.8651 -1.7434 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6409 -1.4414 -1.7003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4006 3.5180 2.8989 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6694 4.8154 1.8237 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 3.2456 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8813 -1.6045 0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0099 -2.8018 0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9700 -1.5463 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7891 0.8373 -1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6462 2.0018 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5194 -0.1872 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8987 -0.9450 1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8298 -2.0238 -0.6758 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3766 -2.3390 -2.6165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9978 -1.5835 -2.5658 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