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
   -1.6028   -0.9281    1.6244 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9805   -0.9635   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0409    0.1911   -0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2275    1.1648   -1.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    0.1902    0.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0504   -1.3053    0.3971 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8145   -0.8009   -0.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5065   -1.9238   -0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1032    1.0918   -1.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4906    1.9599   -1.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    1.0935    0.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170    0.2302    1.8127 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