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
-0.8211 -3.3572 -0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0354 -2.3470 -0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -1.2143 0.9834 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.8952 -1.7785 2.0643 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4995 0.3142 0.4450 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7928 0.6558 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7829 -0.2668 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0800 0.1033 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3403 1.3871 -0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3293 2.3058 -0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0591 1.9401 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5585 -1.0223 1.6982 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4452 -0.2212 0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2617 -0.7867 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1559 -0.0625 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2111 1.3019 -0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3996 1.9186 0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5270 1.1423 1.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5567 -3.4820 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8417 -4.0823 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7637 -2.2673 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5890 -1.2795 0.5341 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8751 -0.6433 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3676 1.6675 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5457 3.3120 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2581 2.6911 -0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2165 -1.8506 -0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7906 -0.5519 -1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9030 1.8690 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4779 3.0047 0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8989 1.5999 1.8747 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