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
   -3.5425    1.0978   -0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1571    0.6654   -0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5453    0.0904   -1.2883 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140   -0.4521   -0.9832 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.6646   -0.6956   -2.3487 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0648   -1.9768   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9741   -2.8838   -0.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1971   -2.3469    1.2691 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8365    0.7864   -0.1733 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1522    0.4009    0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284    1.5439    0.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2746    1.0132    0.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8739    0.4502   -1.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4878    2.1617   -0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6404    1.5458    0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3013   -0.0362    0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0351   -3.8455    0.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6949   -2.6598   -1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700   -0.4693    0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7176    0.1321   -0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6849    1.4339    1.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174    1.5296    0.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655    2.5147    0.5816 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