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
   -2.0655    0.0711    1.3149 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966    0.1549   -0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155    0.0589   -0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2369    0.1014   -1.7410 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6728   -0.0748    0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9682   -0.1542    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0979    1.0902   -0.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1467   -0.7607   -0.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3047   -0.1124    1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6636   -0.2544    1.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760   -0.1201   -0.6092 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