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
-1.1086 -3.5217 0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0164 -2.2126 0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1322 -1.2095 -0.1757 P 0 0 0 0 0 5 0 0 0 0 0 0
0.9103 -2.0342 -1.1568 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1243 -0.3882 0.9353 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3585 0.1469 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5311 -0.5744 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7494 -0.0070 0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7503 1.2996 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5826 2.0343 -0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3879 1.4534 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8010 -0.0894 -1.1051 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9642 0.3828 -0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9679 1.5204 0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1237 1.9987 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3053 1.3210 0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3047 0.1723 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1361 -0.2945 -0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4749 -4.0318 -0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8241 -4.0790 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6612 -1.7195 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5052 -1.6065 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6766 -0.5609 0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6800 1.8074 -0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6019 3.0706 -0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4615 2.0393 0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0432 2.0656 0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1326 2.9079 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2375 1.6788 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2362 -0.3759 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1142 -1.1938 -1.3629 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