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
    2.8476   -2.0347    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1565   -0.8367   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9444   -0.6403    0.2781 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1086    0.7035   -0.3056 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.8290    1.1488   -1.5728 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0842    2.0335    0.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6670    3.1748    0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7851    1.8009    2.5504 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4641    0.2853   -0.7944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270   -0.4394    0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5097   -0.7610   -0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2309   -2.7291   -0.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7761   -1.7559    0.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935   -2.5812    0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7838    0.0777   -0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8806   -1.0239   -1.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1507    3.2725   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6700    4.0085    1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3031    0.1984    1.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5917   -1.3526    0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1823   -1.0656    0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4004   -1.6039   -1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9595    0.1203   -0.8156 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