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
-0.1922 -4.1153 -0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9618 -3.6561 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5552 -2.5053 1.0383 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0850 -1.1441 0.2020 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.3344 -1.1251 -1.2383 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7629 -1.1487 0.4101 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5839 -0.0722 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9423 -0.1875 0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7986 0.8706 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3373 2.0685 -0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9776 2.1761 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1199 1.1243 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6253 0.2507 0.9431 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9014 0.6713 0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0740 1.5690 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3373 2.0379 -0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4606 1.6176 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2540 0.7207 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0191 0.2508 1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7342 -3.5995 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5128 -5.0106 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8688 -4.1771 0.6092 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3168 -1.1257 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8677 0.7455 0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0075 2.8876 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5753 3.1136 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0486 1.1998 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2113 1.9228 -0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4173 2.7407 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4475 1.9647 -0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1322 0.3900 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8527 -0.4550 2.1540 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