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
-0.0333 0.7710 1.8348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2579 0.8562 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0313 -0.5847 -0.4722 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.1136 -0.2280 -1.9372 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3617 -1.5953 -0.3004 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5983 -0.9344 -0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2276 -0.8002 -1.6414 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4540 -0.1405 -1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0090 0.3699 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3850 0.2405 0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1603 -0.4212 0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4241 -1.3585 0.0921 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6456 -0.7144 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7018 0.5410 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8852 1.2353 -0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0365 0.6350 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9919 -0.6331 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8103 -1.3303 0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1240 1.6161 2.4904 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4338 -0.1273 2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6570 1.7654 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7851 -1.2018 -2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9723 -0.0155 -2.6611 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9512 0.8862 -0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8170 0.6380 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6396 -0.5435 1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8048 1.0608 -0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8786 2.2377 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9641 1.1893 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9115 -1.0891 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7338 -2.3247 0.8902 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