Monomers

Chloromethyl vinyl ketone

Identifiers

IUPAC name
1-chlorobut-3-en-2-one
InchI
InChI=1S/C4H5ClO/c1-2-4(6)3-5/h2H,1,3H2
InchI Key
SEVIEHFDUHCSCV-UHFFFAOYSA-N
SMILES
ClCC(=O)C=C
Canonical SMILES
C=CC(=O)CCl
Isomeric SMILES
C=CC(=O)CCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5ClO
Heavy Atom Count
6
Molecular Weight
104.536
Exact Molecular Weight
104.0029
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
0.9803
H Bond Acceptors
1
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

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.3669    0.6531   -0.0617 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1612   -0.5767   -0.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759   -0.7408    0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3965   -1.6701    1.3927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9796    0.1087    0.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2193    1.0757   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7129   -0.2520   -1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6886   -1.5476   -0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6849   -0.0255    1.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5435    1.2412   -0.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0746    1.7340   -0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  2  7  1  0
  2  8  1  0
  5  9  1  0
  6 10  1  0
  6 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers