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
-0.9819 4.7800 -0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1502 3.8128 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6152 2.7957 0.4232 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0128 1.2197 0.2359 P 0 0 0 0 0 5 0 0 0 0 0 0
0.1704 0.9685 -1.2579 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5981 1.2161 0.9391 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4358 0.1491 0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2418 0.3097 -0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0965 -0.7111 -0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1640 -1.8846 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3488 -2.0046 0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4790 -1.0103 1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8798 0.0330 1.0065 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9274 -0.6877 0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4550 -0.5712 -0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5291 -1.3564 -1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0973 -2.2864 -0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5721 -2.4130 0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5141 -1.6316 1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0049 4.8027 -0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6367 5.5763 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8614 3.8337 -0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2183 1.2216 -1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7245 -0.5628 -1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8476 -2.6743 -0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3720 -2.9120 1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8454 -1.1141 2.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0152 0.1564 -1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9333 -1.2484 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9333 -2.8941 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0439 -3.1519 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1270 -1.7607 2.3662 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