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
   -2.7834   -2.0468   -0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4531   -1.3551   -0.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7381   -0.0423    0.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3265    0.8500    0.3399 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0761    0.8323    1.8433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6488    2.5276   -0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1205    3.5534    0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839    2.7860   -1.6938 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9994    0.2054   -0.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8914   -0.3265    0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1066   -0.9231   -0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1124   -1.9474   -1.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6890   -3.1308   -0.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5831   -1.6593    0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8792   -1.3966   -1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8825   -1.8797    0.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898    4.5822    0.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202    3.3695    1.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3689   -1.1409    1.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2308    0.4175    1.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5701   -1.6567    0.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8595   -0.1476   -0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8193   -1.4709   -1.1061 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