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
    3.0506   -1.5608    0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -0.2876    0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7162    0.1176   -0.6434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0438    0.1202   -0.5577 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.2919   -0.9041   -1.7636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150    1.7159   -1.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0953    2.7659   -0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5730    1.8400   -2.6964 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6259   -0.6158    0.7251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8953   -0.1380    0.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9079   -0.9558    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4701   -2.0043   -0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0471   -1.3686   -0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9154   -2.3519    0.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0728    0.4795    0.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289   -0.3757    1.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3635    3.8277   -0.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6322    2.6815    0.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1236   -0.4161    2.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0740    0.9097    0.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140   -1.6254    0.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176   -1.5710   -0.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5390   -0.2829   -0.4461 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