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
0.7893 0.6894 -2.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5212 1.4892 -1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0757 0.9329 0.5608 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.9479 2.0053 1.1703 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2568 0.5772 1.5785 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4073 0.0965 0.9366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6198 -1.2412 0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7826 -1.6337 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7313 -0.7271 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4768 0.6183 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3270 1.0367 0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0240 -0.4812 0.4300 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4055 -0.4463 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2744 -0.4687 1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6435 -0.4320 1.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1548 -0.3708 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3104 -0.3471 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9546 -0.3851 -0.9449 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6656 -0.3886 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1454 1.0826 -2.9657 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6712 2.5522 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8917 -1.9661 1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9740 -2.6801 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6394 -1.0192 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1726 1.3708 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1556 2.1044 0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8596 -0.5165 2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3426 -0.4481 2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2231 -0.3393 -0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7212 -0.2984 -2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2902 -0.3661 -1.8124 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