Monomers
Phosphonic acid, ethenyl-, diphenyl ester
Identifiers
IUPAC name
[ethenyl(phenoxy)phosphoryl]oxybenzene
InchI
InChI=1S/C14H13O3P/c1-2-18(15,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h2-12H,1H2
InchI Key
VLHORJVZAKSXHV-UHFFFAOYSA-N
SMILES
C=CP(=O)(Oc1ccccc1)Oc1ccccc1
Canonical SMILES
C=CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Isomeric SMILES
C=CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H13O3P
Heavy Atom Count
18
Molecular Weight
260.229
Exact Molecular Weight
260.0602
Valence Electrons
92
Radical Electrons
0
tPSA
35.53
MolLogP
4.481
H Bond Acceptors
3
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
31 32 0 0 0 0 0 0 0 0999 V2000
-0.0615 -3.4029 -1.1575 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0205 -2.0869 -1.2201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0987 -1.1223 0.2623 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.0911 -1.7841 1.2249 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7161 0.4320 -0.0872 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0825 0.6635 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6288 1.0803 1.1827 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9883 1.3285 1.3062 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7927 1.1524 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2851 0.7450 -1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9281 0.5089 -1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4004 -1.0817 1.0224 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4503 -0.2384 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6423 -0.2878 1.3569 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7158 0.5246 1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6293 1.4269 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4443 1.4870 -0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3694 0.6688 -0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1989 -3.8914 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0110 -4.0178 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1599 -1.6178 -2.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9765 1.2082 2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3492 1.6471 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8535 1.3538 0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9665 0.6257 -1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5461 0.1891 -2.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7378 -0.9890 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6544 0.4870 1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4828 2.0568 -0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4031 2.2069 -1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4421 0.7277 -0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
3 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
11 6 1 0
18 13 1 0
1 19 1 0
1 20 1 0
2 21 1 0
7 22 1 0
8 23 1 0
9 24 1 0
10 25 1 0
11 26 1 0
14 27 1 0
15 28 1 0
16 29 1 0
17 30 1 0
18 31 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers