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
-1.0626 4.0056 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5000 2.9557 0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4530 2.2502 -0.0374 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0359 0.9540 -1.0906 P 0 0 0 0 0 5 0 0 0 0 0 0
0.5319 1.3590 -2.4636 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6475 0.7784 -1.1964 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3791 -0.1881 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6427 -1.4263 -1.0873 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3835 -2.3723 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8612 -2.0697 0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6141 -0.8335 1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8776 0.0708 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8233 -0.4904 -0.6716 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1237 -0.6232 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9783 0.4531 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2979 0.2975 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7837 -0.9537 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9518 -2.0515 0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6281 -1.8650 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7991 4.3181 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7981 4.5489 0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 2.6440 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2700 -1.6809 -2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5886 -3.3498 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4508 -2.7796 1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0050 -0.6103 2.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6879 1.0363 1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5919 1.4195 -0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9976 1.1209 0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8105 -1.1168 0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3169 -3.0566 0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0068 -2.7446 -0.0287 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