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
-3.2797 1.7201 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1817 2.3143 0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7336 1.3493 -0.1178 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.7622 1.0704 -1.6245 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6556 -0.1256 0.6859 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2890 -1.3035 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1266 -1.4327 -0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7253 -2.6416 -0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4997 -3.7211 -0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6626 -3.5969 0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0529 -2.4074 1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6854 2.2926 0.1274 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9597 1.8406 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0015 2.7132 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3314 2.2979 0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5976 1.0065 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5862 0.1136 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2584 0.5434 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1673 2.2816 0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 0.6630 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 3.3997 0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3318 -0.5694 -1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3905 -2.7219 -1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9871 -4.6774 -0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5122 -4.4888 1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3880 -2.3261 2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8278 3.7469 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1135 3.0453 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6330 0.6795 -0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7857 -0.9131 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4657 -0.1526 -0.5108 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