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
   -3.2740   -1.0118    0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8337   -0.7221   -0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6581    0.1382   -1.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0159    0.4073   -1.4557 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2201    0.3369   -2.9637 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4049    2.0342   -0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828    2.5549    0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7243    3.0879   -1.7415 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8509   -0.8019   -0.6967 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281   -0.3294   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920   -1.4447    0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3383   -1.7277    0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7017   -1.4893   -0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8621   -0.1003    0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2999   -0.3516    0.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3402   -1.6819   -0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9456    2.0221    0.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0592    3.5408    0.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480    0.2568   -0.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7073    0.3750    0.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427   -1.5711    1.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8633   -1.1140    0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7114   -2.4081    0.0325 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