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
-0.5430 -3.5302 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9629 -2.5143 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1301 -1.2190 -0.6551 P 0 0 0 0 0 5 0 0 0 0 0 0
0.9909 -1.7288 -1.8134 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2025 -0.8299 0.6160 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3268 -0.0538 0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7192 0.4976 -0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8802 1.2689 -0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6587 1.5073 0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2592 0.9508 1.5026 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1161 0.1914 1.5517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6683 0.1913 -1.1683 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9354 0.5623 -0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0571 0.1375 -1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3416 0.4773 -1.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5332 1.2682 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4115 1.6934 0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1325 1.3519 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4820 -3.6171 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2085 -4.3472 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 -2.4947 -0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1130 0.3121 -1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1784 1.6934 -1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5686 2.1150 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8868 1.1457 2.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8362 -0.2271 2.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9806 -0.4860 -2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2273 0.1488 -1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5433 1.5265 0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5662 2.3176 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2438 1.6912 0.9347 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