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
-0.8131 4.0515 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5423 3.2652 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0969 1.6077 0.3875 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.0692 1.2384 1.8390 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8059 1.6407 0.0913 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4874 0.4109 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6114 -0.2157 -1.2238 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2823 -1.4236 -1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8192 -1.9894 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7077 -1.3883 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0340 -0.1814 1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6630 0.5868 -0.6873 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7284 -0.2290 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4423 -0.3973 0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5213 -1.2549 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9199 -1.9875 -0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2241 -1.8360 -1.5156 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1609 -0.9859 -1.5991 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6358 3.6618 2.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1995 5.0507 1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7053 3.6163 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1755 0.2603 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3940 -1.9356 -2.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3554 -2.9456 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1092 -1.7914 1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9089 0.3519 2.0698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1260 0.1775 1.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0622 -1.3622 1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7716 -2.6713 -0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5628 -2.4278 -2.3698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6398 -0.8970 -2.5395 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