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
-2.0024 4.0128 -0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7347 4.3652 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2540 3.4218 -0.5001 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0281 1.8866 0.2758 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.7517 2.0954 1.5785 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5645 1.3054 0.6742 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1869 0.1998 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9839 0.2868 -0.9803 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6162 -0.8162 -1.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4126 -2.0201 -0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6272 -2.1293 0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9941 -1.0128 0.7713 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8411 0.8697 -0.7649 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4444 -0.3121 -0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3944 -0.7926 0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0085 -1.9907 1.2607 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6911 -2.7322 0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7471 -2.2632 -0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1420 -1.0821 -1.3258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8006 4.7230 -0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2963 2.9761 -0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4515 5.3990 -0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1251 1.2464 -1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2365 -0.7328 -2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9006 -2.8942 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4563 -3.0817 0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3786 -1.1302 1.6564 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8590 -0.2263 1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9268 -2.3033 2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1697 -3.6587 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2934 -2.8667 -1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2098 -0.7428 -2.3612 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