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
    0.4161   -2.1417   -0.1390 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3639   -0.6713   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    0.5925   -0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4238    1.6482   -0.0044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7493    0.8150   -0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7298   -0.0297   -0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1681   -0.6808   -0.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9839   -0.7011    0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0736    1.8906   -0.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7493    0.3719   -0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075   -1.0935   -0.4076 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