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
-1.1074 3.6138 -0.8254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1038 2.9867 -0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2789 2.2985 0.9003 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1223 0.6841 1.1846 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.6035 0.2504 2.4623 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7928 0.4520 1.4863 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6557 -0.1262 0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3709 0.5534 -0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2275 -0.0644 -1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3861 -1.4338 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6822 -2.1450 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8285 -1.5133 0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4341 -0.3679 -0.0530 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8028 -0.6502 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 -1.7173 0.5292 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7093 -2.0031 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5560 -1.2280 -0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9982 -0.1607 -0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6510 0.1247 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1004 3.6120 -0.3955 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9613 4.1525 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8619 3.0153 -0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2367 1.6315 -0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7746 0.5145 -1.9913 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0429 -1.9612 -1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8098 -3.2252 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2729 -2.0742 1.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7059 -2.3359 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1410 -2.8533 0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6194 -1.4506 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6895 0.4440 -1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2390 0.9771 -1.4550 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