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
    0.7758    3.1492   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849    1.7263   -0.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    0.8972    0.0711 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4032   -0.7209   -0.3724 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.8364   -0.7899   -1.8398 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962   -1.3621    0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9549   -1.1431    0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2436   -2.3538    2.2517 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9726   -1.6434   -0.2214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800   -0.9137    0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3018   -1.7755    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1547    3.8942   -0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    3.3091    0.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3321    3.2679    0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0301    1.6291   -1.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1052    1.4894   -0.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7558   -1.5295    1.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2653   -0.5923   -0.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8590   -0.5028    1.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.0706   -0.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1183   -2.8392    0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7380   -1.7419    1.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0629   -1.3836   -0.3669 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