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
-0.2905 -2.6331 -1.6145 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0505 -1.5463 -2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1368 0.0772 -1.5973 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.5996 1.0570 -2.5089 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7925 0.4876 -1.6585 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5591 0.6904 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6579 1.9462 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4150 2.1658 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0964 1.1062 1.7704 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9779 -0.1358 1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2240 -0.3694 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4648 0.1395 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8206 0.0722 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7661 -0.0493 -0.7218 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1272 -0.1159 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5654 -0.0609 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6272 0.0605 1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2857 0.1246 1.5674 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3917 -3.5815 -2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3963 -2.6483 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0435 -1.6059 -3.3964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1376 2.8006 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5050 3.1493 1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6951 1.2861 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5139 -0.9757 1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1439 -1.3457 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4861 -0.0971 -1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8646 -0.2112 -1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6258 -0.1128 1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9549 0.1047 2.9049 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5817 0.2210 2.4042 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