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
   -2.0684    1.1720   -1.6029 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7360    0.1153   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3430    0.2419    0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    0.9596    1.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984   -0.3950   -0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0194   -0.2317    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3996    0.3464    0.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9157   -0.9260   -0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6591   -1.0036   -1.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9112   -0.6805   -0.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793    0.4016    1.0097 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