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
-0.2035 -3.4860 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5329 -2.3975 0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0312 -0.8121 0.2027 P 0 0 0 0 0 5 0 0 0 0 0 0
0.0144 0.2132 1.3143 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5965 -0.9939 -0.4601 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6552 -0.1660 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8292 0.9485 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8688 1.8248 -0.7386 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7279 1.5665 0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5607 0.4590 1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5079 -0.4276 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0584 -0.2592 -1.0011 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 0.1976 -0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4319 1.5438 -0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6458 2.0379 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7611 1.2507 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6200 -0.0987 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4018 -0.6099 -0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5284 -4.4833 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4129 -3.3887 -0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1456 -2.4871 1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1597 1.1443 -1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9827 2.6822 -1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5537 2.2342 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2113 0.2430 1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3488 -1.3077 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5674 2.1853 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7316 3.0994 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7214 1.6445 0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5125 -0.7029 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3019 -1.6544 -0.7269 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