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
1.3154 4.6017 0.7524 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4699 3.6469 0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9217 2.6374 -0.4091 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1663 1.0813 -0.3284 P 0 0 0 0 0 5 0 0 0 0 0 0
0.2737 0.4749 -1.6883 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0869 0.1360 0.7880 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0370 -0.7603 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6964 -2.0636 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6877 -2.9359 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9769 -2.4684 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3268 -1.1670 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3286 -0.3220 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3963 1.2146 0.2669 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4152 0.3096 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2868 -0.8760 -0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3587 -1.7534 -0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5884 -1.4800 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7132 -0.2930 0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6486 0.5779 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3417 4.6208 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9397 5.3874 1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5573 3.6402 0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6776 -2.4380 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4182 -3.9724 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7505 -3.1527 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3480 -0.8465 -0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6216 0.7109 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3256 -1.0940 -1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2286 -2.6743 -1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3990 -2.1870 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6915 -0.0717 0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7754 1.5167 1.2274 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