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
    3.1090   -0.6550   -0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9772    0.3312   -0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0801   -0.2981    0.6101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439    0.6070    1.0418 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.2929    0.7295    2.5646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2746    2.2334    0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2221    2.6374   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0988    3.4684    0.8415 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6394   -0.2121    0.5512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3246   -1.4265   -0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6470   -2.0681   -0.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7890   -1.7012   -0.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4264   -0.6227   -1.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -0.4562    0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4799    0.4979   -1.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3887    1.2666    0.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0382    1.9735   -0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2312    3.6200   -0.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7106   -1.2722   -0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7736   -2.1018    0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5152   -2.9465   -1.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2216   -1.2746   -1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1934   -2.3301    0.4510 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