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
   -3.3013   -1.2370   -0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908   -0.4069    0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1712   -0.3779   -0.8743 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1885    0.5219   -0.5363 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.8901    0.8041   -1.8680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1549    2.0230    0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8536    2.9757   -0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4713    2.2955    2.1153 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2671   -0.4126    0.3857 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556   -0.6503   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3253   -1.4835    0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4904   -1.1420   -1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1280   -2.3295    0.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532   -0.9446    0.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657    0.5816    0.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5929   -0.9391    1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2300    2.8652   -1.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0593    3.8854    0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0206    0.2887   -0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3041   -1.2455   -1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7410   -0.8042    1.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7888   -2.3524    1.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1390   -1.9156   -0.0023 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