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
-0.6636 -3.1723 -1.2642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3012 -1.9174 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1969 -1.2749 0.6217 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.1047 -2.1000 1.5409 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3534 -1.3552 1.2745 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4182 -0.5469 0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6400 -0.7158 1.5394 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7474 0.0591 1.2391 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6247 1.0387 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4086 1.2417 -0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3230 0.4471 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7430 0.3293 0.6767 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9671 0.7469 0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3350 2.0714 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5558 2.5328 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4474 1.6353 -0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0946 0.3036 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8596 -0.1307 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8980 -3.8076 -0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7288 -3.5688 -2.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0547 -1.2367 -1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7172 -1.4921 2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7128 -0.0808 1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4929 1.6424 0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3661 2.0235 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3721 0.5925 -0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6257 2.7700 0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8375 3.5726 -0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4006 1.9842 -1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7661 -0.4273 -1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5959 -1.1648 -0.4559 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