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
    3.1600    1.4560   -0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1221    0.5357    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8771    0.6707   -0.3069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1484   -0.4618    0.4646 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.1471   -0.0794    1.9356 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6092   -2.0613    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5450   -2.7049   -0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5291   -2.8592    1.7043 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7043   -0.3979   -0.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3488    0.7214    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7661    0.8485   -0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4763    2.2244    0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0880    0.8411   -0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9111    1.9071   -1.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3929   -0.5386    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    0.7730    1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188   -2.2439   -1.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9936   -3.6799   -1.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3721    0.7061    1.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7813    1.6331    0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1035    1.8959   -0.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4618    0.2165    0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8815    0.5973   -1.2175 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