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
   -2.0882   -2.4274    0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1388   -1.2098   -0.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7502   -0.8729   -0.7392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4302    0.5456    0.0180 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.4113    0.7065    1.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3274    2.0785   -0.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8412    3.1853   -0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5027    2.2579   -2.5044 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0771    0.2562    0.8679 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0369   -0.0751   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3305   -0.3139    0.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0747   -2.6839    0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -1.9996    1.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4774   -3.2346    0.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4303   -1.7529   -1.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8206   -0.4714   -0.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8529    4.1887   -0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3259    3.1265    0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    0.7222   -0.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -0.9759   -0.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0973   -1.1680    1.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1941   -0.4560    0.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3899    0.5742    1.3750 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