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
-0.3314 3.7110 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8803 2.8042 -0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0275 1.3202 0.1837 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.0513 1.1919 1.7006 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6828 -0.0658 -0.5619 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9184 -0.5993 -0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3402 -1.7143 -0.9213 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5820 -2.2237 -0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3892 -1.6410 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9327 -0.5216 1.0152 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6904 0.0025 0.6999 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6021 1.4572 -0.3121 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4801 0.3735 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0786 -0.7972 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0273 -1.7880 0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3290 -1.6094 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7056 -0.4255 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7753 0.5767 -0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8461 4.6256 -1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6660 3.5916 -1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8716 2.9901 0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7180 -2.1934 -1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9357 -3.1137 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3564 -2.0253 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4923 0.0078 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3102 0.8756 1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 -0.9104 0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7401 -2.7394 1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0688 -2.4115 0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7242 -0.2722 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0876 1.5237 -1.0117 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