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
0.5365 -3.8953 0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0209 -3.1116 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2227 -1.3387 -0.0370 P 0 0 0 0 0 5 0 0 0 0 0 0
0.5331 -0.9240 -1.4551 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5935 -1.0258 0.9752 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3686 0.1006 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4388 0.0139 -0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2296 1.1029 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9379 2.3111 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8755 2.4407 0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1014 1.3307 1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1077 -0.5938 0.6297 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1850 -0.0266 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4133 0.0555 -1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5254 0.6430 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4650 1.1811 -1.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2896 1.1285 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1616 0.5311 0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1621 -3.4217 1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4025 -4.9632 0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6435 -3.6104 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6621 -0.9604 -0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0675 0.9641 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5637 3.1823 -0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6557 3.4153 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2704 1.4254 1.9452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6747 -0.3672 -1.9836 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6732 0.6897 -2.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3675 1.6595 -1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0555 1.5653 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0386 0.4979 1.9324 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