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
0.6054 -3.4191 -0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3927 -2.1102 -0.6884 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0484 -1.0552 0.7019 P 0 0 0 0 0 5 0 0 0 0 0 0
0.8768 -1.5923 1.8746 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5586 -1.0514 1.1710 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5579 -0.2284 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8284 -0.3813 1.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8979 0.3929 0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7232 1.3694 -0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4608 1.5401 -0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3879 0.7497 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6594 0.5074 0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0068 0.7048 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4423 1.9689 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7803 2.1656 -0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6866 1.1262 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2539 -0.1498 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9187 -0.3579 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8134 -4.0446 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5636 -3.8245 0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4300 -1.6729 -1.6898 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0187 -1.1358 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9003 0.2838 1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5527 1.9908 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3358 2.3068 -1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4045 0.8822 -0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7866 2.8242 -0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1023 3.1811 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7111 1.3230 -0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9713 -0.9468 -0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5774 -1.3468 0.2908 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