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
    3.3417   -1.4428   -0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0856   -0.9169    0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6391    0.2633   -0.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2214    0.6998    0.3935 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.6015    0.6659    1.8683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584    2.2948   -0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0711    2.7560   -1.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3871    3.3154    1.1450 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8952   -0.5270    0.1394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1835   -0.1830    0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0617   -1.3953    0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871   -2.1693    0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0553   -0.6063   -0.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1264   -1.9684   -1.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2675   -1.6697    0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347   -0.6942    1.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4257    3.7491   -1.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088    2.1845   -1.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5712    0.6766   -0.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2880    0.0450    1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8899   -1.6503   -0.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6270   -2.2228    0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1102   -1.2043    0.4751 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