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
   -3.3202   -1.7364   -0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3516   -0.7379    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3861   -0.4839   -0.7028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710    0.5372   -0.3929 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.3783    1.0617   -1.7278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4654    1.9519    0.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4800    2.8782    0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9851    2.2900    1.6669 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0938   -0.3216    0.3373 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2450   -0.3075   -0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3737   -1.0595    0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7820   -2.7003   -0.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5098   -1.3458   -1.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2750   -1.7800    0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9021   -1.2863    1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9295    0.0759    0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4110    3.8082    1.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3953    2.7870    0.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675    0.7661   -0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9965   -0.6872   -1.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966   -2.0153    0.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9027   -0.4270    0.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374   -1.2676   -0.6104 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