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
   -3.2276   -1.4537   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5398   -0.0558   -0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2114   -0.1613   -0.6408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1431    0.3221    0.5212 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9045    0.1336    1.9156 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019    1.9791    0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1012    2.7663   -0.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5509    2.5875    1.8653 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0564   -0.8727    0.5404 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3047   -0.4095    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2170   -1.6513    0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5031   -2.2855   -0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9416   -1.6258   -0.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426   -1.4201    0.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0597    0.4675   -1.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7509    0.5867    0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3378    2.8356   -1.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4809    3.8931   -0.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    0.2803    1.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5262    0.1134   -0.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9923   -1.5730   -0.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5446   -1.8875    1.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106   -2.5686    0.0150 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