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
    3.5053    1.0895    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2361    0.4974   -0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3866    0.0249    0.6656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0303   -0.3826   -0.0298 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.1589    0.2707   -1.4542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4231   -2.1084   -0.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0985   -3.0412    0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3186   -2.6276   -1.9417 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901    0.2599    0.7852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    1.3675    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3423    0.8793   -0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4242    1.7325    0.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7844    1.8532   -0.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3506    0.3908    0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4718   -0.4097   -0.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6277    1.1953   -0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3287   -4.0708    0.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4776   -2.7144    1.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0589    2.2266    0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4198    1.6034   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1435    0.0268   -1.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7166    0.2915    0.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9245    1.6454   -0.6928 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