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
-0.6974 -2.3911 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0914 -1.5716 -0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0835 0.1655 -1.1718 P 0 0 0 0 0 5 0 0 0 0 0 0
0.7665 0.2835 -2.5369 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4806 0.7744 -1.3428 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5227 0.5713 -0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4240 -0.1791 0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4734 -0.3851 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6823 0.2001 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8393 0.9676 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7462 1.1415 -0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.0751 -0.0712 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3725 0.7954 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1210 1.5497 1.0399 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4746 1.2644 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0609 0.2329 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3142 -0.5067 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9694 -0.2400 -0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3332 -2.0407 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6869 -3.4386 -1.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7191 -1.9314 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4767 -0.6486 0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3858 -0.9796 2.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5321 0.0492 1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7919 1.4054 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8480 1.7348 -1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6862 2.3520 1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0097 1.8782 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1024 0.0220 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7491 -1.3336 -0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3767 -0.8168 -1.2529 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