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
-0.3720 -3.3142 -0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2853 -2.1816 -0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1724 -1.0782 0.5763 P 0 0 0 0 0 5 0 0 0 0 0 0
0.2733 -1.7561 1.8731 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6369 0.4127 0.4934 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0257 0.4035 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7555 1.5918 0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1334 1.5820 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8477 0.4053 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1353 -0.7695 0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7585 -0.7626 0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8480 -0.9512 0.6146 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6242 0.0569 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9692 1.1086 0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7757 2.1566 0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2145 2.1076 -0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8880 1.0686 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0888 0.0534 -1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1044 -3.9832 -1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1604 -3.5545 -0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0795 -1.9258 -1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2625 2.5377 0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7305 2.5000 0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9405 0.4108 0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6773 -1.7102 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2610 -1.7167 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6153 1.1346 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0392 2.9804 1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8475 2.9017 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2476 1.0524 -2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8357 -0.7609 -1.7914 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