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
-0.7826 3.1871 -0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4169 2.0002 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1565 0.6992 -1.1731 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.0500 0.8949 -2.3972 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4410 0.6187 -1.7184 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5126 0.2650 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8054 0.2079 -1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8357 -0.1532 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5894 -0.4577 0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2983 -0.4039 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2786 -0.0421 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5730 -0.7879 -0.3855 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8650 -1.0026 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8543 -0.0476 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1424 -0.3037 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4767 -1.4852 0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4800 -2.4112 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1696 -2.1941 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9333 3.4048 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9632 4.0406 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2740 1.8034 1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9734 0.4507 -2.4253 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8497 -0.2005 -0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4042 -0.7366 1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0722 -0.6373 2.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2782 -0.0071 0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6429 0.8970 -0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9550 0.4122 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4926 -1.6685 1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6844 -3.3710 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4263 -2.9715 0.8283 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