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
   -2.8726   -1.9332   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5273   -1.2711   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5957   -0.0029   -0.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826    0.8877   -0.3440 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.3230    1.1902   -1.7580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6563    2.4106    0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1115    3.5804    0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0098    2.2825    1.8075 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9627    0.1292    0.5865 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0245   -0.3920   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0404   -1.0725    0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9663   -2.8770    0.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9011   -2.1255   -1.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6880   -1.2115   -0.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3824   -1.2783    1.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7741   -1.9198   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6548    3.6625   -0.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418    4.4634    0.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5768   -1.1705   -0.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5666    0.3633   -0.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9430   -2.1771    0.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0906   -0.7978    0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9273   -0.7407    1.8036 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