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
-0.3833 3.0837 -0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3065 2.0748 -1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0454 0.4058 -0.5404 P 0 0 0 0 0 5 0 0 0 0 0 0
0.3476 0.3289 0.9457 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4551 -0.1473 -1.3527 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6502 -0.3955 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5932 0.6051 -0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7867 0.3708 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0921 -0.8660 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1518 -1.8649 0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9443 -1.6360 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2116 -0.6662 -0.8743 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4499 -0.6594 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4011 -1.5877 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6732 -1.5612 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9829 -0.6050 0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0473 0.3114 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7847 0.2851 0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6016 4.0695 -0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2287 2.9169 0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4645 2.2655 -2.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3595 1.5740 -0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5291 1.1452 0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0280 -1.0526 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3507 -2.8622 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2028 -2.4244 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2009 -2.3468 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4361 -2.2820 -0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9710 -0.5739 1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3049 1.0716 1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0883 1.0231 0.9327 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