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
-0.2332 4.8491 -0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1279 3.5272 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3180 2.8915 0.8301 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0550 1.2257 1.0916 P 0 0 0 0 0 5 0 0 0 0 0 0
1.0305 1.1229 2.1675 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5425 0.4358 -0.2882 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7328 -0.3111 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7837 -1.6402 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0062 -2.3100 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1783 -1.6647 -0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0994 -0.3129 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9002 0.3709 -0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4385 0.4559 1.7251 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1869 -0.4629 0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2292 -0.0102 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9774 -0.8877 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6857 -2.2266 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6414 -2.7039 0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8935 -1.8059 1.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4615 5.4380 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0962 5.4338 -1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1014 3.0354 -1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8865 -2.1682 0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0265 -3.3806 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1484 -2.1607 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0359 0.2000 -0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8583 1.4220 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4420 1.0592 0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8165 -0.5693 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2624 -2.9371 -1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4084 -3.7690 0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0566 -2.1467 1.6406 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