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
0.2273 3.8288 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8314 3.5075 -0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8415 2.3585 -1.0594 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0395 0.9855 -0.3767 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.1624 1.0609 1.1480 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6030 1.1187 -0.7526 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5230 0.1277 -0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1624 -1.0673 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0936 -2.0594 0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4090 -1.8334 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7695 -0.6396 -0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8398 0.3308 -0.8529 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7147 -0.4660 -0.9207 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0265 -0.8052 -0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5267 -2.0028 -1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8302 -2.3467 -0.8062 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6091 -1.4910 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0948 -0.2874 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7909 0.0658 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0958 3.1797 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3171 4.7147 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6941 4.1341 -0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1407 -1.2620 0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8008 -2.9987 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1144 -2.6217 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7996 -0.4765 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1489 1.2665 -1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9109 -2.6881 -1.6939 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2356 -3.2872 -1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6416 -1.7504 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6881 0.3997 1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4069 1.0044 0.4989 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