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
    3.4109    0.8178   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0176    0.3353   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4610   -0.2688    0.7220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2115   -0.5962    0.3954 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.8223   -0.3501    1.8297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304   -2.2632    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8028   -3.0616    1.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1539   -3.1557   -1.5895 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6876    0.6412   -0.5779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0537    0.7975   -0.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4219    2.1082   -0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0495   -0.0700    0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384    1.5315   -0.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2856    1.3154    0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.4111   -1.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    1.2024   -0.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9171   -2.6340    2.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9397   -4.1562    1.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0893    1.0850   -1.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7058   -0.0039   -0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    2.9489   -0.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8671    2.1022    0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667    2.0853    0.0589 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