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
    2.6189   -1.3786   -1.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212   -0.9740   -0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1156    0.1921   -0.3681 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2733    0.5094    1.0646 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.0749   -0.0964    2.1948 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1635    2.2683    1.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543    3.1484    0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3688    2.9321    3.1591 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468   -0.2173    1.0627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7149   -0.4598   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -1.1083   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0267   -1.3659   -2.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9267   -2.4529   -1.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5697   -0.8144   -1.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5415   -0.9195    0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0944   -1.7790    0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180    4.2015    0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1739    2.8093   -0.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8555    0.4747   -0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0604   -1.1117   -0.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9939   -2.1354    0.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7150   -0.5458    0.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5876   -1.1768   -1.0997 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