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
   -3.3816   -1.6499    0.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3156   -1.0584   -0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3794   -0.4580    0.5334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1158    0.2540   -0.3209 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.0492   -0.3612   -1.6955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.9963   -0.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2009    2.9206    0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7252    2.4934   -1.8732 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2949   -0.0032    0.5885 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3751   -0.3030   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5739   -0.5119    0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2556   -2.0099    0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831   -2.5004    1.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6579   -0.8571    1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7530   -0.3452   -1.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8142   -1.8916   -0.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9325    2.6383    0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    3.9742    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5512    0.6190   -0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2091   -1.1992   -0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4107   -0.8300    0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897    0.4017    1.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3166   -1.3187    1.4011 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