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
   -2.8910   -1.9617   -0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1581   -0.9956    0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9876   -0.5706   -0.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1550    0.5107    0.7607 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.6802    0.3173    2.1794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5536    2.1853    0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3970    3.0428   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878    2.7034    0.3000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4846    0.2552    0.7826 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9578   -0.3869   -0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4545   -0.5992   -0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2001   -2.7972   -0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891   -1.5085   -1.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7802   -2.3551    0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7889   -0.1675    0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8521   -1.5750    1.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    2.7245   -0.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1941    4.0666   -0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4637   -1.3386   -0.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7782    0.3355   -1.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586    0.3687   -0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694   -0.8821   -1.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7374   -1.3718    0.4389 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