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
    2.6488    0.1340   -0.2509 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1709   -0.8039   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0073    0.1091   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2316    1.4069   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3496   -0.4636    0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5364    0.8338    0.2218 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0135   -1.5002   -0.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1521   -1.4159    0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    1.8150   -0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5831    2.1138    0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5254   -1.1271   -0.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4561   -1.1019    1.0501 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