Monomers
Diphenyl vinyl phosphate
Identifiers
IUPAC name
ethenyl diphenyl phosphate
InchI
InChI=1S/C14H13O4P/c1-2-16-19(15,17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h2-12H,1H2
InchI Key
RJYNTEFVOZNXEM-UHFFFAOYSA-N
SMILES
C=COP(=O)(Oc1ccccc1)Oc1ccccc1
Canonical SMILES
C=COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Isomeric SMILES
C=COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H13O4P
Heavy Atom Count
19
Molecular Weight
276.228
Exact Molecular Weight
276.0551
Valence Electrons
98
Radical Electrons
0
tPSA
44.76
MolLogP
4.4126
H Bond Acceptors
4
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
32 33 0 0 0 0 0 0 0 0999 V2000
0.7004 4.3138 0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2218 3.4415 -0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6533 2.4333 -0.3697 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0515 0.8303 -0.4321 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.0733 0.3944 -1.8668 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8995 -0.2156 0.6029 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2307 -0.5177 0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1741 0.2479 1.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4998 -0.0630 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8899 -1.1273 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9533 -1.9044 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6079 -1.5932 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5798 0.8822 0.0864 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4417 -0.1798 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0368 -1.3470 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9219 -2.3888 -0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2361 -2.2588 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6653 -1.1001 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7350 -0.0639 0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3781 5.0895 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4312 4.2744 1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5260 3.5290 -1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8602 1.1026 1.7681 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2448 0.5370 1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9349 -1.3618 0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2772 -2.7499 -0.9856 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8617 -2.1984 -0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0311 -1.4832 -1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6132 -3.3349 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9320 -3.0732 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6763 -0.9741 0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0852 0.8590 0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
4 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
12 7 1 0
19 14 1 0
1 20 1 0
1 21 1 0
2 22 1 0
8 23 1 0
9 24 1 0
10 25 1 0
11 26 1 0
12 27 1 0
15 28 1 0
16 29 1 0
17 30 1 0
18 31 1 0
19 32 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers