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
    3.3766   -0.9958    0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8841   -0.7170    0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5795    0.2885   -0.6917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0688    0.5550   -0.7006 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.5817    0.1960   -2.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4639    2.2747   -0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976    3.1703   -0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2484    2.7987   -0.0350 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8923   -0.3652    0.4541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0900   -0.7610   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441   -1.5951    0.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5484   -1.9788    0.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9334   -0.2330    0.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148   -1.0730   -0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3705   -1.6538   -0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6179   -0.3733    1.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606    4.2020   -0.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171    2.8852   -0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8320   -1.3402   -1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6565    0.1676   -0.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3918   -2.2274    1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5341   -2.2896    0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6969   -0.9347    1.3025 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