Monomers

Phosphonic acid, (1-bromoethenyl)-, diethyl ester

Identifiers

IUPAC name
1-bromo-1-diethoxyphosphorylethene
InchI
InChI=1S/C6H12BrO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InchI Key
SQMBBBWHQORDNI-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)Br)OCC
Canonical SMILES
CCOP(=O)(C(=C)Br)OCC
Isomeric SMILES
CCOP(=O)(C(=C)Br)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12BrO3P
Heavy Atom Count
11
Molecular Weight
243.037
Exact Molecular Weight
241.9707
Valence Electrons
66
Radical Electrons
0
tPSA
35.53
MolLogP
3.1186
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
    3.1431   -1.2068    0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252   -0.6000    0.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6161    0.6250    0.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1297    0.6235   -0.3722 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2377   -0.4539   -1.5256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224    2.2018   -1.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6560    3.1602   -0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7727    2.2917   -2.9975 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872    0.3344    0.4337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6713   -0.9965    0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1282   -1.2137    0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9305   -1.4944    0.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4199   -0.4582   -0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7548   -2.0988   -0.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1065   -1.2058    1.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3869   -0.2195    2.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1356    3.3076    0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5751    4.1148   -1.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4687   -1.3705   -0.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0150   -1.5649    0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483   -1.2796   -0.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2356   -2.1593    1.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4798   -0.3373    1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  7 17  1  0
  7 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers