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
0.2904 3.7252 -0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7209 3.3763 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5756 2.5480 1.0166 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0805 0.9746 0.8213 P 0 0 0 0 0 5 0 0 0 0 0 0
0.0484 0.2413 2.1459 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8623 0.1743 -0.3572 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1028 -0.3474 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7367 -0.9649 -1.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9910 -1.5097 -1.0296 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6305 -1.4500 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0145 -0.8386 1.2388 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7573 -0.2935 1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6955 1.1461 0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5754 0.0899 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7027 -0.5049 -1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5784 -1.5634 -1.2871 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3580 -2.0635 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2302 -1.4686 0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3579 -0.4140 1.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2906 3.3641 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1537 4.3644 -1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7144 3.7415 -0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2551 -1.0353 -2.1857 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4630 -1.9884 -1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6227 -1.8952 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5292 -0.7932 2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2784 0.1948 1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1069 -0.1340 -1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6816 -2.0350 -2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0428 -2.8867 -0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8185 -1.8220 1.8088 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2429 0.0680 2.1523 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