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
   -2.7637   -1.3287    0.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0311   -0.6017   -0.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6936   -0.4288    0.1709 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1981    0.3600   -0.9780 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.1041   -0.3045   -2.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211    2.0651   -1.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751    2.7801   -0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090    2.9184   -2.8160 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8397    0.2598   -0.5423 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0094   -0.7957    0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4578   -0.8625    0.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2740   -1.1775    1.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8225   -0.9640    1.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053   -2.4185    0.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4726    0.4382   -0.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1982   -1.0810   -1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1014    3.8110   -0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963    2.3419    0.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6919   -1.7250   -0.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3700   -0.6275    1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9991   -1.4874    0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9378    0.1417    0.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5380   -1.3135    1.7420 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