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
-2.2827 3.2372 -1.0544 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6133 2.1297 -1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8541 1.2170 -0.0182 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.8264 0.9813 1.1155 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4186 2.1830 0.6145 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6157 1.6163 1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6913 1.4309 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8941 0.8638 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0228 0.4728 1.9649 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9586 0.6512 2.8179 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7626 1.2188 2.3696 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1802 -0.2361 -0.5646 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9366 -1.3539 -0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2993 -1.3114 -0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0712 -2.4213 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4408 -3.5750 -1.5631 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0823 -3.6381 -1.6765 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3530 -2.5218 -1.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7491 3.8018 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3875 3.6116 -0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5171 1.7698 -2.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5691 1.7493 -0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7192 0.7334 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9325 0.0316 2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0227 0.3608 3.8385 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9215 1.3589 3.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8214 -0.4353 -0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1331 -2.3685 -1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0623 -4.4402 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6334 -4.5657 -2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7151 -2.5518 -1.4232 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