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
   -3.6859   -0.5632    0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1795   -0.4108    0.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7121    0.7227    0.7889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0407    0.7949    0.5515 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.5519    1.4603    1.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3557    1.7365   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3247    2.6346   -0.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5656    1.4959   -2.5585 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6160   -0.7666    0.3990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9603   -0.6526    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6411   -1.9686   -0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0223   -1.2844   -0.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9432   -0.8940    1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1369    0.4400    0.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6417   -1.3375    0.4468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0177   -0.2759   -0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5701    3.2038   -1.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8768    2.7998    0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4894   -0.0848    0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0460   -0.0266   -0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076   -2.0500    0.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8949   -2.1385   -1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0109   -2.8349    0.2069 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