Monomers

Bis(2-chloroethyl) vinylphosphonate

Identifiers

IUPAC name
1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane
InchI
InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2
InchI Key
LHHMNJZNWUJFOC-UHFFFAOYSA-N
SMILES
ClCCOP(=O)(OCCCl)C=C
Canonical SMILES
C=CP(=O)(OCCCl)OCCCl
Isomeric SMILES
C=CP(=O)(OCCCl)OCCCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H11Cl2O3P
Heavy Atom Count
12
Molecular Weight
233.031
Exact Molecular Weight
231.9823
Valence Electrons
72
Radical Electrons
0
tPSA
35.53
MolLogP
2.8338
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
   -4.1464    1.1589    0.5265 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750    0.8662   -0.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7824    0.0070   -0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8184   -0.1941   -1.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4582   -1.1433   -0.5180 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.1538   -1.7316   -1.7226 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5826   -0.0935    0.2227 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8533    0.9160   -0.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8553    1.9046   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1474    2.5950    1.3453 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0814   -2.4047    0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2844   -2.1970    1.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4236    1.8574   -0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188    0.4035   -1.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1581   -0.9296    0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3012    0.6287    0.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2802    0.4355   -1.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9673    1.4837   -0.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7866    1.3305    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    2.7025   -0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2554   -3.4025    0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6113   -2.9769    2.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1214   -1.2164    2.3104 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  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  2  3
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
 11 21  1  0
 12 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers