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
0.2696 3.5165 1.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5919 2.9311 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1309 2.1597 -1.2207 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.1728 3.2383 -2.3096 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4746 1.5691 -1.1983 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8652 0.4109 -0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2650 0.4720 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6671 -0.6926 1.3882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6709 -1.8948 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2767 -1.9753 -0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8812 -0.8152 -1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1885 0.9314 -1.7015 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6638 -0.0764 -0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3327 -0.2197 0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8585 -1.2771 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7232 -2.2036 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0524 -2.0512 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5262 -0.9986 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3364 3.5248 0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0067 3.9825 2.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6292 2.9399 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2939 1.3772 1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9762 -0.6379 2.4103 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9853 -2.7913 1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2846 -2.9410 -1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5712 -0.8830 -2.2332 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6617 0.4916 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5942 -1.3857 2.1656 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1437 -3.0331 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7229 -2.7483 -1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8186 -0.9204 -2.5326 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