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
0.1759 3.9755 -0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1408 2.9799 -1.3604 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7697 1.8351 -0.9561 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1417 0.6661 -0.0876 P 0 0 0 0 0 5 0 0 0 0 0 0
1.0137 1.3915 0.9400 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8425 -0.4231 0.7532 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2118 -0.5534 0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7656 -1.4229 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1393 -1.5438 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9996 -0.7757 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4475 0.1004 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0834 0.2119 1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1616 -0.2316 -1.1390 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3464 -0.7273 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5192 -0.0028 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6661 -0.5146 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6834 -1.7632 0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5206 -2.4953 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3807 -1.9748 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6729 4.8650 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0549 3.9277 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1163 3.0886 -2.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0967 -2.0280 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5691 -2.2287 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0744 -0.8723 0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1622 0.6884 1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6752 0.8993 2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4870 0.9789 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5819 0.1003 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6112 -2.1305 1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5189 -3.4772 1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4355 -2.5435 0.0214 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