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
0.7830 4.0273 1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1347 3.6795 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3734 2.4352 -0.4326 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2410 1.0386 0.3434 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.2377 1.3893 1.4181 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0032 -0.0173 -0.7683 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1516 -0.7040 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1276 -1.9556 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2668 -2.6369 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5028 -2.0673 0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5483 -0.8161 -0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4003 -0.1417 -0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0350 0.1436 1.0848 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1175 -0.3129 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 -1.5480 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1971 -1.9730 -1.0537 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3095 -1.1834 -1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3358 0.0504 -0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2399 0.4681 0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4900 3.3382 1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5934 5.0106 1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5606 4.3633 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1199 -2.3719 0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1711 -3.6078 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4111 -2.5907 0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5181 -0.3553 -0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4166 0.8381 -1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 -2.1686 -0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1077 -2.9541 -1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1498 -1.5142 -1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2085 0.6883 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2647 1.4481 0.6326 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