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
-0.6886 -2.9232 0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0195 -1.8470 0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1004 -1.2220 -1.0677 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.6332 -2.1751 -1.9642 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7458 -1.0395 -1.5748 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5409 -0.1343 -0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6519 1.1945 -1.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4588 2.0627 -0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1704 1.6001 0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0754 0.2920 0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2557 -0.5640 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5984 0.3583 -1.1746 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8868 0.5069 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9281 0.2954 -1.5581 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2190 0.4316 -1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4322 0.7751 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3853 0.9859 1.0902 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0874 0.8488 0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2577 -3.4873 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7236 -3.2847 1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5587 -1.3438 1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0776 1.5211 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5431 3.1052 -0.8971 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8057 2.2844 1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6402 -0.0532 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1686 -1.6144 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7170 0.0222 -2.6039 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0412 0.2661 -1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4554 0.8831 0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5418 1.2566 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2170 0.9986 1.2694 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