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
-1.2080 -2.9508 0.8749 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2122 -2.1158 1.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0784 -0.6569 0.1150 P 0 0 0 0 0 5 0 0 0 0 0 0
0.5233 0.4397 1.0663 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3958 -0.9329 -0.9464 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6289 -0.3289 -0.8036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9081 0.8723 -1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1522 1.4315 -1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1195 0.8246 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8471 -0.3862 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6001 -0.9351 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2669 -0.2345 -0.7976 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4120 0.3555 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5529 0.6716 0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6949 1.2711 1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7353 1.5641 0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6139 1.2533 -0.7741 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4416 0.6459 -1.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3671 -3.8164 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8945 -2.7882 0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4534 -2.3118 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1609 1.3967 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3906 2.3904 -1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1046 1.2543 -0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5867 -0.9040 0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4213 -1.8997 0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7458 0.4396 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8000 1.5166 2.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6396 2.0347 0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4277 1.4911 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3585 0.4079 -2.2917 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