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
0.2223 4.1611 -0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2045 3.0943 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3360 1.9243 -0.6641 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0689 0.3945 0.0494 P 0 0 0 0 0 5 0 0 0 0 0 0
0.2400 -0.6051 -1.0485 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4268 -0.0365 0.9590 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5982 -0.5372 0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6329 -0.8495 1.2891 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8423 -1.3581 0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0262 -1.5604 -0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0255 -1.2625 -1.3842 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8127 -0.7516 -0.9143 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2910 0.4154 1.0998 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4841 -0.2045 0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7940 -1.5094 1.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0020 -2.0640 0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9479 -1.2952 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6421 0.0024 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4267 0.5364 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1810 4.1440 -1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6319 5.1171 -0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6042 3.1221 0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5439 -0.7104 2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6174 -1.5869 1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9727 -1.9600 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1854 -1.4279 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0297 -0.5190 -1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 -2.0950 1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2834 -3.0814 0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9006 -1.6794 -0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3485 0.6221 -0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2141 1.5602 -0.1550 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