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
-0.4966 -3.8972 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1119 -3.1591 1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9555 -1.8014 1.3006 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0057 -0.8251 0.3013 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.0700 -1.2396 -1.1533 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6183 -0.9310 0.8337 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6463 -0.1372 0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9524 1.0445 1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9901 1.8142 0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7541 1.4515 -0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4182 0.2507 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3846 -0.5318 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5922 0.7782 0.3986 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9277 1.0082 0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8350 0.0193 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1737 0.2790 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6478 1.5626 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7661 2.5581 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4306 2.3111 0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6588 -4.9546 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2038 -3.4957 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7902 -3.6448 1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3835 1.3773 1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2465 2.7565 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5761 2.0314 -0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0263 -0.0434 -2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2035 -1.4530 -1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5117 -0.9883 -0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8515 -0.5424 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7077 1.7304 -0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1551 3.5686 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7269 3.1030 0.4844 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