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
-0.4435 4.0995 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7064 2.8203 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2636 1.8321 -0.4138 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0350 0.6543 0.8222 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.9468 1.2121 1.8073 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5197 0.2942 1.5930 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5887 -0.1458 0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4510 -0.2833 -0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5244 -0.7161 -1.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7598 -1.0236 -0.7338 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8926 -0.8850 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8151 -0.4532 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5613 -0.8191 0.1476 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9503 -1.0621 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5805 -1.6947 1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9365 -1.9264 1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7143 -1.5427 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0644 -0.9107 -1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7088 -0.6716 -0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5458 4.4672 -0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2086 4.8369 -0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7024 2.5269 -0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4944 -0.0493 -1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3903 -0.8186 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5607 -1.3594 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8415 -1.1203 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9079 -0.3385 2.4292 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9809 -2.0047 2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4609 -2.4260 1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7872 -1.7391 0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6410 -0.5875 -1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1966 -0.1659 -1.8039 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