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
   -4.6452   -0.9515   -0.6794 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9206   -1.2832   -0.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1243   -0.2839    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739   -0.5727   -0.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1114    0.5389    0.8920 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0400    0.2646    2.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7573    0.3281    0.5363 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9236   -0.9951    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3604   -1.3123   -0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187   -0.2994   -1.5235 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.1806    0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1883    2.9365   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804   -1.2968   -1.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7510   -2.2925   -0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4230   -0.4011    1.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770    0.7408   -0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3214   -1.1187   -0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5133   -1.6685    0.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3582   -2.3732   -0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9959   -1.2179    0.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3119    2.5851    1.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1206    3.9476   -0.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0528    2.5445   -0.8688 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