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
   -3.2469   -0.9294    0.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3434   -0.3378   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9942   -0.4585    0.1438 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051    0.2089   -1.0152 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.6200    0.1239   -2.3904 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619    1.9326   -0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2212    2.6405    0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6722    2.7580   -1.8190 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5111   -0.5916   -1.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722   -0.7038    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3838   -1.4085    0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7812   -1.0553    1.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6662   -1.9144    0.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1230   -0.2583    0.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4936   -0.8651   -1.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5451    0.7621   -0.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0394    3.6682    0.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9610    2.1977    0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993   -1.2703    0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385    0.2972    0.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2555   -0.7056    0.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5160   -1.9613   -0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5409   -2.1292    0.9139 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