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
    3.2147   -1.1799   -0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7233   -0.9798   -0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5536    0.3491    0.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0464    0.7470    0.6258 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.3511    0.5653    2.1160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2784    2.4777    0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7469    3.2621   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0123    3.2756    0.2751 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0925   -0.1969   -0.2927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600   -0.7504    0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.6127   -0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7743   -0.5037    0.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5246   -2.2236   -0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4363   -0.8405   -1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3008   -1.6929    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1649   -1.1019   -1.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7489    2.8145   -0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464    4.3069   -0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714   -1.3900    1.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792    0.1150    1.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8636   -0.9521   -0.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4414   -2.3752    0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5052   -2.1136   -1.0328 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