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
1.1957 3.7821 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1162 3.0351 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0858 1.7122 -0.1081 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1163 0.4957 1.0816 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.9616 1.0779 2.1914 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3966 0.0374 1.7240 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4009 -0.4372 0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2902 0.4458 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2750 -0.0536 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3541 -1.4052 -0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4479 -2.2665 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4447 -1.7911 0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9346 -0.8043 0.3963 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2535 -0.8452 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7913 -1.9879 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1338 -2.0482 -0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9633 -0.9629 -0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4373 0.1852 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0972 0.2284 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0683 3.3977 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2435 4.8142 0.4005 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7157 3.4957 0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2264 1.5143 0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9702 0.6505 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1216 -1.8226 -1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4700 -3.3497 -0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7285 -2.4584 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1191 -2.8305 -0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5221 -2.9600 -1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0001 -1.0411 -0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0674 1.0592 0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7224 1.1330 0.6569 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