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
    3.1605   -1.3797   -0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111   -0.9732    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4969    0.2003   -0.6066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    0.8064   -0.4473 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.5631    1.1705   -1.8266 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0360    2.3055    0.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    2.8171    0.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455    3.1985    1.1369 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226   -0.2755    0.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2753   -0.3951   -0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2659   -1.3521    0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5702   -0.8416   -1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034   -1.1957    0.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1942   -2.4563   -0.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0071   -1.7725   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434   -0.7344    1.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2576    3.6957    1.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992    2.2979    0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621   -0.7639   -1.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7731    0.5792   -0.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3246   -1.0613   -0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1464   -2.3620   -0.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1484   -1.5078    1.1548 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