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
   -2.9343   -1.2834    0.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0697   -0.3339    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7914   -0.8639   -0.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1435    0.2170   -0.9372 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.2227    0.0658   -2.4039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1907    1.9262   -0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8856    2.7238   -1.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4591    2.6031    1.2103 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7940   -0.0984   -0.7922 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -0.7892    0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900   -1.0104    0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9108   -0.7844    1.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4699   -1.5611    1.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1143   -2.1979    0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0277    0.6431    0.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5466   -0.1456   -0.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2530    2.3170   -2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0798    3.7409   -0.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6087   -1.7691    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8486   -0.2132    1.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976   -1.0266    1.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390   -1.9557   -0.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1240   -0.2042   -0.1639 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