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
-0.7335 0.6946 3.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9263 -0.4668 2.6371 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0392 -0.8523 1.1868 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.1024 -2.2825 0.7756 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7041 -0.5085 1.5352 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5767 -0.4416 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2057 -1.6025 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0763 -1.5660 -1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3240 -0.3976 -1.7117 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6879 0.7534 -1.2994 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8237 0.7195 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4086 0.2207 -0.0721 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7214 0.3941 -0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2877 -0.3768 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5941 -0.2145 -1.8854 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3951 0.7463 -1.3041 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8386 1.5194 -0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5293 1.3522 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0089 1.4070 2.8885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2895 0.9912 4.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6358 -1.1855 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0217 -2.5195 0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5527 -2.4704 -1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0087 -0.3984 -2.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8447 1.6951 -1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2971 1.6162 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6582 -1.1272 -1.9242 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0470 -0.8135 -2.6637 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4191 0.8716 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4663 2.2791 0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1009 1.9633 0.8776 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