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
0.6357 3.5318 0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 3.1226 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1391 1.6192 -0.8570 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.0766 2.0387 -1.9858 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0183 0.5809 -1.5136 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9404 -0.1444 -0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8206 -0.9508 -1.4995 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7495 -1.6822 -0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8073 -1.6181 0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9126 -0.8027 1.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9745 -0.0612 0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9527 0.8502 0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9976 -0.0218 0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5320 -0.5492 1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5854 -1.4355 1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1387 -1.8207 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6222 -1.3084 -0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5519 -0.4084 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1380 4.4373 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0962 2.9454 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2026 3.6875 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7896 -1.0130 -2.5795 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4439 -2.3184 -1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5409 -2.1964 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9450 -0.7418 2.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2779 0.5725 1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1254 -0.2714 2.4051 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0191 -1.8608 2.3378 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9809 -2.5290 0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0784 -1.6293 -1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1674 -0.0227 -1.8350 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