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
-0.8191 2.3038 -0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5926 1.1103 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0512 -0.2616 -0.4520 P 0 0 0 0 0 5 0 0 0 0 0 0
0.3881 0.2436 0.9388 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4463 -0.8936 -1.1669 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6873 -0.5198 -0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4167 0.5628 -1.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6497 0.8776 -0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2121 0.1296 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 -0.9557 0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2579 -1.2664 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1771 -1.4644 -0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4124 -1.0345 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6964 -0.9871 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9163 -0.5645 1.9589 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8950 -0.1738 1.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6365 -0.2114 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3949 -0.6424 -0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6033 2.4270 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2067 3.0947 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7874 0.9323 -2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9510 1.1475 -1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1712 1.7256 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1920 0.3687 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9351 -1.5633 1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7717 -2.1375 0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8996 -1.3044 2.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0795 -0.5493 3.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8724 0.1663 1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4296 0.1034 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.6637 -1.7816 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