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
    2.4296    0.9773    1.1139 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6544    0.2438   -0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1754    0.4797   -0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3084    1.5268   -0.7733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510   -0.5520    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9446   -0.4073    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813   -0.8441   -0.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0780    0.6997   -1.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2104   -1.4455    0.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4676    0.4840   -0.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6369   -1.1624    0.7014 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