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
0.1120 4.0884 0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7766 3.2554 0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3738 2.2104 1.5337 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2214 0.7332 0.9028 P 0 0 0 0 0 5 0 0 0 0 0 0
0.2866 -0.2801 2.0221 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8133 1.0245 0.3411 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6268 -0.0403 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9026 0.2225 -0.4971 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7517 -0.7968 -0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2945 -2.1020 -0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0227 -2.4054 -0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2203 -1.3496 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8095 0.2466 -0.3612 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0693 -0.2686 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6402 -0.4477 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9121 -0.9705 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6694 -1.3363 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0960 -1.1561 -1.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8242 -0.6336 -1.2784 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2007 4.8941 -0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1472 3.9790 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8350 3.3512 0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2920 1.2437 -0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7473 -0.5928 -1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9810 -2.8785 -1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7121 -3.4376 -0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2340 -1.5906 0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0436 -0.1592 1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3464 -1.1052 2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6681 -1.7469 0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7021 -1.4479 -1.9988 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3984 -0.5032 -2.2746 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