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
1.3666 3.3266 -0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7390 2.6511 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3594 1.3263 -0.2528 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.2428 1.8886 -1.3737 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3552 0.8561 1.0693 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4052 -0.0076 0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6802 0.4510 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7102 -0.4062 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5201 -1.7664 0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2643 -2.2740 0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2394 -1.3738 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4766 0.0042 -0.9106 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7635 -0.3475 -0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.1292 -1.2975 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1538 -0.2342 -0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3776 -1.1079 0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3001 -1.6012 0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0030 -1.2173 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2106 3.0737 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0511 4.1459 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9221 2.9350 1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7875 1.5333 0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6862 -0.0450 -0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3354 -2.4605 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1461 -3.3335 0.6427 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2545 -1.7442 1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6880 0.8119 -2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0235 0.1262 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3823 -1.4194 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4625 -2.2918 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2083 -1.6285 1.0138 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