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
0.0951 -2.4650 -1.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5238 -1.5339 -1.9335 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0801 0.1695 -1.6344 P 0 0 0 0 0 5 0 0 0 0 0 0
0.7713 1.0162 -2.6968 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6015 0.4269 -1.8109 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5008 0.3892 -0.7886 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1182 -0.7806 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0325 -0.8655 0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3578 0.2785 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7313 1.4524 0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8068 1.5235 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6133 0.7270 -0.1267 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9181 0.6215 0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2798 1.1045 1.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5794 1.0219 1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5297 0.4462 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1828 -0.0381 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8746 0.0517 -0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 -2.2233 -0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3374 -3.5181 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1290 -1.8430 -2.7783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8873 -1.6759 -0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5038 -1.8059 0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0746 0.2171 2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9757 2.3513 1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3406 2.4640 -0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5342 1.5584 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8914 1.3847 2.9588 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5511 0.3743 1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9147 -0.4952 -0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6332 -0.3343 -1.5001 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