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
    3.7586   -0.6125   -0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674    0.1792    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.7145    0.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0466   -0.0295    0.4919 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.2685    0.2292    1.9842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2832    1.4770   -0.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0135    2.6300    0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9380    1.4651   -2.1472 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2037   -1.1917    0.0485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4884   -0.6822    0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4364   -1.7898   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.4164    0.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2484   -0.3311   -1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5786   -1.7093   -0.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2829    0.7751   -0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.8771    0.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1529    3.5963   -0.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644    2.7227    1.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483   -0.2918    1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6289    0.1481   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0001   -2.7810    0.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4244   -1.7085    0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5654   -1.8416   -1.3859 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