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
0.3507 4.4984 1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4058 3.4949 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0271 2.6414 -0.3505 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1316 0.9531 -0.3155 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.1010 0.3901 1.0749 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 0.5318 -1.1465 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 -0.4394 -0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3702 -1.7636 -0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2632 -2.6835 -0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2784 -2.2708 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3582 -0.9239 0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4560 -0.0230 0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1839 0.2892 -1.2046 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3092 -0.2280 -0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4073 0.5760 -0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4906 0.0269 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5030 -1.3091 0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4219 -2.1238 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3237 -1.5594 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2955 4.6527 0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0248 5.1672 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3790 3.3402 1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5945 -2.1091 -1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2184 -3.7361 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9877 -2.9805 0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1552 -0.6297 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5578 1.0116 0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3774 1.6117 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3336 0.6685 0.5534 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3815 -1.7329 1.1774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4106 -3.1828 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4446 -2.1583 -0.4741 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