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
   -2.4758   -0.4289    0.8923 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205   -0.6776    0.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0689    0.0488   -0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8111    0.7295   -0.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171    0.0286   -0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2359    0.7049    1.1013 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4720   -1.7683    0.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3268   -0.2113    1.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8811    0.7718   -0.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3554    1.2620   -1.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862    0.5682   -1.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7725   -1.0277   -0.4962 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