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
   -3.0208   -0.8195    1.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9549   -0.8882   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8699   -0.0551    0.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -0.1536   -0.9130 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.1004   -1.4873   -1.6368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0111    1.1229   -2.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6699    2.2322   -1.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396    0.8847   -3.8977 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8563   -0.1152   -0.3265 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9305   -0.1913    1.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.1455    1.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7547   -1.4765    1.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1284    0.2033    1.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0158   -1.0919    0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3905   -0.5033   -0.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6359   -1.9216   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617    2.4069   -0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8501    2.9988   -2.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931   -1.1574    1.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3561    0.6323    1.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    0.6881    2.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6716   -1.0793    1.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0633   -0.0834    0.5462 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