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
-0.5139 -3.9483 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3857 -2.9810 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1042 -1.2517 -0.0482 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.1598 -0.6629 1.3252 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9576 -0.4247 -1.0936 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1468 0.1474 -0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3425 -0.5321 -0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5290 0.0657 -0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5098 1.3595 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3297 2.0663 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1361 1.4566 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6613 -1.2186 -0.7622 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4525 -0.1086 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2976 -0.0803 0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1173 1.0220 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0698 2.0820 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2353 2.0678 -1.1609 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4099 0.9644 -1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5472 -3.7337 -0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1803 -4.9667 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4206 -3.1844 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3390 -1.5584 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4707 -0.4639 -0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4124 1.8903 0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2917 3.0978 0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2396 2.0609 -0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3552 -0.9202 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7638 0.9780 1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6971 2.9400 0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2018 2.9017 -1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7442 0.9350 -2.2615 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