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
-0.0091 -3.6441 1.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6266 -2.6285 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1572 -1.0377 0.5429 P 0 0 0 0 0 5 0 0 0 0 0 0
0.3291 -0.4502 1.9359 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7268 0.0844 -0.3780 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0574 0.3896 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6190 1.3303 -1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9355 1.7105 -0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7354 1.1633 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1575 0.2295 0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8410 -0.1581 0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6796 -1.2486 -0.2126 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5831 -0.2123 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7837 -0.4583 -0.9916 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7033 0.5494 -1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3952 1.8288 -0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1759 2.0434 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2444 1.0314 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9801 -3.5021 1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4355 -4.6382 1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6092 -2.7643 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0265 1.7854 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3188 2.4492 -1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7501 1.4566 0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8095 -0.1935 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4252 -0.8895 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0142 -1.4668 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6639 0.4121 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1240 2.6140 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9529 3.0290 0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2967 1.1852 0.5611 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