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
   -3.2149   -1.2555    0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0778   -0.7523   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2100    0.0755    0.3782 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0307    0.5768   -0.6656 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.5827    0.6156   -2.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4602    2.2343   -0.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5100    3.0919    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2455    2.8959   -0.1558 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3011   -0.4844   -0.7190 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1163   -0.5200    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1960   -1.5607    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4459   -0.6029    1.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0150   -2.3017    0.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1297   -1.3274   -0.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4885   -0.1531   -1.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4557   -1.5967   -0.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5482    2.7708   -0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3311    4.1389    0.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6360    0.4077    0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6063   -0.8750    1.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4391   -1.4858   -1.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8431   -2.5877    0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1351   -1.3041    0.6099 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