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
0.7551 3.4282 0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0081 2.3445 0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1292 1.1935 -0.7000 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.0099 1.8481 -1.7651 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8104 -0.2777 -0.2752 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1317 -0.5501 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1448 0.3857 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4576 0.0235 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8183 -1.2628 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8096 -2.1988 0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4970 -1.8353 0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3913 0.9106 -1.4413 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3726 0.1192 -0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4328 -1.2373 -1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4231 -2.0288 -0.5081 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3652 -1.4778 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 -0.1189 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3066 0.6763 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2811 3.6384 -0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8907 4.1850 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4693 2.2242 1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8861 1.3915 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2715 0.7529 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8525 -1.5400 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1093 -3.2046 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7166 -2.5926 0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6922 -1.6673 -1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4688 -3.0969 -0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1381 -2.0889 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0312 0.3131 1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 1.7431 0.1819 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