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
-0.0497 4.0150 -0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6891 3.0948 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0636 1.4153 -0.1786 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.0370 0.8915 -1.6048 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9676 0.4267 0.8566 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0070 -0.3761 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7850 -1.6756 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8458 -2.5134 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1287 -2.0038 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3553 -0.7071 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2905 0.0991 0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5410 1.5010 0.4643 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3843 0.4172 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1665 0.4146 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 -0.6502 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0942 -1.7023 -0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2952 -1.6810 0.9353 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4516 -0.6353 1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8476 3.7717 -1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3970 5.0415 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5830 3.3697 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7882 -2.1131 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6194 -3.5291 -0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9448 -2.6639 -0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3650 -0.3371 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5272 1.1245 0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0983 1.2518 -1.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6172 -0.6398 -1.9856 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7696 -2.5231 -0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3555 -2.5138 1.6405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8095 -0.5697 2.0449 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