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
-0.4329 2.3724 0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1182 1.5433 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0696 -0.1977 0.0719 P 0 0 0 0 0 5 0 0 0 0 0 0
0.0596 -0.9365 -1.2697 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4931 -0.5142 0.9369 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7618 -0.3428 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8817 0.1108 -0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1130 0.3126 -1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2375 0.0403 -0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1212 -0.4145 0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8862 -0.6142 1.1608 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2525 -0.8254 0.9666 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5596 -0.7497 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5554 -1.2802 1.2842 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8763 -1.2237 0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1870 -0.6412 -0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1940 -0.0994 -1.1675 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9001 -0.1812 -0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5559 3.4313 0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5831 2.0089 1.7595 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0184 1.9614 -1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0078 0.3352 -1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1801 0.6750 -2.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2233 0.1911 -1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0266 -0.6275 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8220 -0.9711 2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3009 -1.7304 2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6258 -1.6453 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2006 -0.5821 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4440 0.3599 -2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1158 0.2350 -1.3064 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