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
   -2.1914    1.8101   -0.4229 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7331    0.1251   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3228   -0.0651   -0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622   -0.2117   -1.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -0.0977    0.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.2507    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9152   -0.1057    1.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3788   -0.5703   -0.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6331   -0.0120    1.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2827   -0.3541   -0.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8381   -0.2681    0.8195 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