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
    2.9887   -0.9652   -0.2314 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6894    0.1960   -0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3423   -0.3985   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3194   -1.6214    0.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8469    0.4017   -0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0675   -0.0812   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8214    0.9970    0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7013    0.6143   -1.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7640    1.4508   -0.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2391   -1.1302    0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450    0.5367   -0.3046 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