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
0.5111 2.7401 -1.6447 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0386 1.7690 -0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1413 0.0850 -1.5506 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.9576 0.1119 -2.8218 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4076 -0.5860 -1.8261 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4158 -0.5546 -0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6474 -1.1104 -1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6930 -1.1144 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5127 -0.5296 1.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2969 0.0267 1.2965 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2510 0.0191 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9377 -0.9236 -0.4202 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2429 -0.7186 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7941 -1.5808 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0877 -1.4017 1.3087 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8096 -0.3477 0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2441 0.5227 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9269 0.3506 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9418 2.6136 -2.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5409 3.7318 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4540 1.9646 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7837 -1.5636 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6546 -1.5473 -0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3405 -0.5340 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1600 0.4833 2.2819 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3194 0.4676 0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2233 -2.4189 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5077 -2.0964 2.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8262 -0.1991 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8237 1.3440 -0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4609 0.9971 -1.2650 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