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
   -3.5700   -1.0202    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2031   -0.7920   -0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6143    0.3618    0.2429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.5441   -0.4876 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.1907    0.3421   -1.9977 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5452    2.1648   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0505    2.8521    0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225    2.8637   -1.2437 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -0.6077    0.2078 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2106   -0.5068   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949   -1.5459    0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7132   -2.1045    0.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6268   -0.3962    1.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3111   -0.6268   -0.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5710   -1.6880   -0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2540   -0.6643   -1.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4402    3.8530    1.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223    2.4716    1.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6070    0.4861   -0.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1318   -0.6434   -1.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9780   -1.4259    1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1393   -1.3408   -0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254   -2.5766    0.0473 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