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
   -3.3329   -1.1505   -0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9852   -0.5123   -0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3784   -0.0585   -1.3402 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1123    0.6277   -0.8698 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.5541    1.5783   -1.9401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1891    1.4858    0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3636    2.7992    0.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2595    0.5652    2.3408 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2021   -0.6218   -0.7018 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3373   -0.2686    0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2707   -1.4467    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1327   -0.4096   -0.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2675   -1.8997   -1.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6014   -1.7199    0.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3399   -1.2622    0.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1757    0.3124    0.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3321    3.3618   -0.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5468    3.3312    1.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8421    0.6167   -0.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9711   -0.0085    1.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010   -1.8171    1.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9198   -2.3054   -0.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2943   -1.1976   -0.2736 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