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
   -2.9042   -1.2848   -0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797   -0.7260    0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1307    0.2374   -0.2372 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1540    0.9462    0.5960 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0770    0.7953    2.0802 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1054    2.6984    0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457    3.0577   -0.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5328    4.0257    1.5161 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6354    0.3558    0.1090 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200   -1.0306    0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0746   -1.5315   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7920   -0.9720   -1.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9195   -2.3952   -0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9060   -0.8874   -0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2663   -0.2950    1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0969   -1.5325    0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2894    4.1231   -1.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4983    2.3349   -1.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4313   -1.4495    1.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9735   -1.4196   -0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6607   -0.7487   -0.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9809   -2.3772   -0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368   -1.9244    0.5915 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