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
-0.0353 -1.5451 0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1914 -1.6296 -0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1037 -0.2480 -1.7526 P 0 0 0 0 0 5 0 0 0 0 0 0
0.3911 -0.5515 -3.1512 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7752 0.0881 -1.7324 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5945 -0.1282 -0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2373 -1.3374 -0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0666 -1.6008 0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2850 -0.6385 1.5568 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6452 0.5783 1.4011 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8149 0.8317 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7132 1.1608 -1.2294 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0527 1.1673 -0.8565 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4347 0.9346 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7666 0.9384 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7423 1.1791 -0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3558 1.4121 -1.4183 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0303 1.4070 -1.7949 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4153 -0.6133 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1254 -2.3496 1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5631 -2.5502 -1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0773 -2.1003 -1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5576 -2.5650 0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9326 -0.8350 2.3995 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8110 1.3405 2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3228 1.7815 0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6490 0.7487 1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0001 0.7492 1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7835 1.1810 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1089 1.6027 -2.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7661 1.5918 -2.8272 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