Monomers

3-Chloro-2-chloromethyl-1-propene

Identifiers

IUPAC name
3-chloro-2-(chloromethyl)prop-1-ene
InchI
InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2
InchI Key
XJFZOSUFGSANIF-UHFFFAOYSA-N
SMILES
ClCC(=C)CCl
Canonical SMILES
C=C(CCl)CCl
Isomeric SMILES
C=C(CCl)CCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6Cl2
Heavy Atom Count
6
Molecular Weight
124.998
Exact Molecular Weight
123.9847
Valence Electrons
36
Radical Electrons
0
tPSA
0.0
MolLogP
2.0202
H Bond Acceptors
0
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

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.1772    1.0873   -0.3975 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3565   -0.4206    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0949   -0.1813   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7671   -0.9572   -0.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    0.9615    0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    1.1601    0.2879 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7418   -1.2840   -0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5404   -0.4840    1.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234   -0.8288   -1.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2550   -1.7698   -1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5516    0.7929    1.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2029    1.9239    0.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  1  0
  2  7  1  0
  2  8  1  0
  4  9  1  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers