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
   -2.1890   -0.6683    1.0638 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6452    0.5468   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961    0.4602   -0.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2805    1.2901   -1.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595   -0.5355    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9405   -0.6087    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8418    1.5826    0.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1749    0.4286   -1.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2326   -1.2404    0.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3710    0.0896   -0.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627   -1.3452    0.4696 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