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
0.0816 -3.5558 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5732 -2.6669 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1189 -0.9970 0.4206 P 0 0 0 0 0 5 0 0 0 0 0 0
0.1084 -0.3901 1.7678 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -0.1195 -0.7599 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0634 0.2454 -0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1428 -0.5543 -0.8846 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4377 -0.1682 -0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7080 1.0335 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6593 1.8399 0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3446 1.4418 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7510 -1.1432 0.0131 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6317 -0.1222 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3586 0.3589 0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2677 1.4077 0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4312 1.9576 -0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7003 1.4818 -1.6398 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7992 0.4313 -1.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4912 -4.5551 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7081 -3.3443 -1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3514 -2.9015 1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9358 -1.5037 -1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2756 -0.8031 -0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7424 1.3223 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8382 2.7907 0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5265 2.0803 0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2384 -0.0650 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8309 1.7763 1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1446 2.7679 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8375 1.9183 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2177 0.0365 -2.2388 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