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
    3.3413   -1.7422    0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5520   -0.3581    0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2713   -0.6724   -0.0823 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1197    0.3270    0.5582 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.3837    0.6515    2.0820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1049    1.9497   -0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5105    2.5064   -1.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6786    2.9385    0.6788 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2713   -0.6398    0.4383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4816   -0.1071    0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4016   -1.3771    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6972   -2.5640   -0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941   -1.9251    1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3077   -1.6982   -0.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9600    0.1586   -0.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7959    0.1853    1.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2355    3.5973   -0.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0065    2.9636   -1.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.5323   -0.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8405    0.2964    1.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0923   -2.0610    1.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4607   -1.1211    0.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0395   -1.8404   -0.6189 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