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
   -3.3327   -0.6948   -0.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2571   -0.1158    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0188   -0.0776   -0.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1066    0.5812    0.6748 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.5611    0.9398    1.9987 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8996    2.0255    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3229    2.8165   -0.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6609    2.4298    0.6237 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3196   -0.5717    0.9840 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176   -0.9806   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971   -2.0067    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9119   -1.4479   -1.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1183   -1.1577   -0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8488    0.0677   -1.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1950   -0.7182    1.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5683    0.9173    0.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7934    3.6928   -1.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830    2.5888   -1.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357   -0.0968   -0.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129   -1.4595   -0.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3644   -1.7600    0.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6524   -1.9796   -0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119   -2.9926    0.0592 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