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
    3.4187   -1.4931    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0928   -1.1162   -0.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5891   -0.0383    0.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0986    0.4787   -0.5133 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.0556    0.3436   -2.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659    2.2000   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4008    2.5571    1.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8731    3.5025   -1.1183 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1101   -0.3904    0.2497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3772   -0.1145   -0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3618   -0.9660    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1945   -2.1010    0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8896   -0.5460    0.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0773   -2.0448   -0.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4009   -1.9611   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2981   -0.7678   -1.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3307    3.5770    1.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8824    1.8506    1.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6021    0.9432    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4495   -0.2914   -1.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2197   -1.1728   -0.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9297   -1.9723    0.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7401   -0.4770    1.4408 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