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
    2.9281   -1.2613    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1402   -0.1553    0.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7723   -0.4065    0.6052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330    0.4480   -0.6634 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.1007    0.4711   -1.7922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4916    2.0812   -0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010    2.9281    0.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8362    2.6726   -1.5961 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2843   -0.3609   -1.2651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6775   -1.3724   -0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0821   -1.0676    0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4836   -1.4743   -0.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9256   -0.9003   -0.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9113   -2.2062    0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2943   -0.3652    1.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    0.8664    0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5920    3.8932    0.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8744    2.8227    1.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0019   -1.6771    0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379   -2.2635   -1.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8224   -1.8108   -0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3838   -0.0759   -0.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9982   -0.7861    1.2034 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