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
   -1.9464    0.4800    1.0748 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5741   -0.7245   -0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1941   -0.4884   -0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2871   -1.2180   -1.4984 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6132    0.5618   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8616    0.7976   -0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3053   -0.6428   -1.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6917   -1.7374    0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238    1.2233    0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2715    0.1643   -1.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4545    1.5840    0.0088 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