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
-0.0725 4.6197 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4410 3.5389 0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6153 2.3573 -0.0083 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2332 0.8169 0.6731 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.1078 0.6723 1.9061 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6260 -0.3812 -0.4610 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9188 -0.8782 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9311 -0.3385 -1.2376 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2169 -0.8761 -1.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4613 -1.9734 -0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4716 -2.5339 0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2076 -1.9674 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3802 0.8297 1.1345 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3834 0.0425 0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1255 0.4752 -0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1415 -0.2740 -1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4571 -1.5029 -0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7439 -1.9637 0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7184 -1.1953 1.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0919 4.5871 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0655 5.5442 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6131 3.5528 1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6883 0.5152 -1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0158 -0.4360 -1.8301 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4644 -2.3925 -0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6206 -3.3900 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4286 -2.4041 0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8611 1.4545 -0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7144 0.0909 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2635 -2.0702 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0159 -2.9348 0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1717 -1.5852 1.9838 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