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
   -3.3288   -0.9275   -0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4799    0.3430    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4053    0.1778   -0.8948 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350    0.4004   -0.0181 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.3117   -0.1228    1.3955 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5946    2.0646    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2271    3.1366   -0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2507    2.0934    1.2831 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.5022   -0.7191 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8222   -1.2417    0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1321   -1.8935   -0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5872   -1.7332    0.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4902   -1.1219   -1.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1547   -0.9107    0.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1703    0.4702    1.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1746    1.1933   -0.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5179    3.2888   -1.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7263    4.0575   -0.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0991   -2.1117    0.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8799   -0.6187    1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2951   -2.7934    0.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820   -1.1654    0.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -2.0826   -1.1113 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