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
-0.5446 4.3902 0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0344 3.3352 1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5296 2.0886 0.9740 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1977 1.1153 -0.2315 P 0 0 0 0 0 5 0 0 0 0 0 0
1.2900 1.8497 -0.9525 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0486 0.6883 -1.3444 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1360 -0.0521 -0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1328 -0.3932 -1.7731 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2204 -1.1301 -1.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3275 -1.5304 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3343 -1.1920 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2645 -0.4610 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7476 -0.3328 0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 -0.8678 0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2373 -1.7565 -0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4962 -2.2905 -1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5115 -1.9015 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3393 -1.0067 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0529 -0.4962 1.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1396 5.3666 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3136 4.3058 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7383 3.4234 2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0530 -0.0805 -2.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0214 -1.4138 -2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1678 -2.1067 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4097 -1.5002 1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4976 -0.2046 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4084 -2.0399 -1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5920 -2.9816 -1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5033 -2.2977 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1685 -0.7233 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8863 0.1958 1.8627 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