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
0.1758 4.7154 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5814 3.7104 -0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7036 2.4668 -0.4078 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1093 1.0742 -0.9009 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.1766 1.3216 -1.9276 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8444 0.3747 0.5043 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9496 -0.4607 0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2239 0.0746 0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3613 -0.7150 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2448 -2.0828 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9742 -2.6481 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8563 -1.8286 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0091 -0.1128 -1.4752 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0251 -0.5843 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1304 -0.1040 0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1194 -0.5532 1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0112 -1.4958 1.0543 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8953 -1.9696 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9125 -1.5219 -1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0643 5.7282 -0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0537 4.5632 0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7985 3.9026 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3304 1.1401 0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3549 -0.2864 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0821 -2.7526 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8450 -3.7025 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8479 -2.2453 0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4172 0.6539 1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 -0.1844 2.5073 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8112 -1.8763 1.7013 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5819 -2.7106 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8061 -1.8906 -2.1040 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