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
    3.4056    1.3144   -0.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557    1.2098   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7473   -0.0480    0.1742 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1854   -0.3223    0.6875 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0720    0.1277    2.1027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005   -2.1113    0.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736   -2.8293   -0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -2.9879    1.8417 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9644    0.4501   -0.2999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207    0.2585    0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3244    0.9005   -0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5561    0.5624   -1.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.3433   -1.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0476    1.0023    0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539    1.2782   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490    2.0310    0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   -2.3436   -1.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863   -3.8897   -0.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628   -0.8235    0.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2013    0.6577    1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6789    1.8638   -0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1979    0.2090   -0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9768    1.1470   -1.5147 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