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
0.2326 4.0935 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4020 3.0599 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0062 1.3993 -0.2779 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.5759 1.1010 -1.6651 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 1.3124 -0.4179 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4374 0.1900 -0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7130 -0.6389 -1.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4791 -1.7970 -1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9501 -2.0819 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6908 -1.2731 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9272 -0.1322 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6354 0.2357 0.7833 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8989 -0.3156 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0545 0.2427 1.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2829 -0.3414 0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3799 -1.4756 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2254 -2.0243 -0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0016 -1.4428 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0089 5.1189 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0202 3.9952 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1708 3.1997 0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3706 -0.4653 -2.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6924 -2.4398 -1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5477 -2.9932 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0533 -1.4888 2.1919 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7452 0.4780 1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0093 1.1375 1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2144 0.0751 1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3382 -1.9449 -0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2597 -2.9041 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1053 -1.8801 -0.6355 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