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

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
   -2.3871   -0.9402    0.9911 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6900    0.2900   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3426   -0.1771   -0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1732   -0.8914   -1.4628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7946    0.1891    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266   -0.2082    0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3528    0.4246   -1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6234    1.2298    0.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6948    0.8229    1.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -0.8235   -0.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8474    0.0840    0.7027 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