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
   -2.6393   -0.4138   -0.4535 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0017   -0.9764   -0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261    0.1286   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4502    1.3726   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3994   -0.2359    0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4009    1.2082    0.4456 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9423   -1.6645    0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6727   -1.5130   -1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4904    1.6192   -0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193    2.2192    0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4593   -0.8762    1.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7438   -0.8681   -0.6263 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