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
    2.2792    0.8923    1.6389 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.0494    0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3100    0.4113   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557    1.6150   -0.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7948   -0.5339   -0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0334   -0.1790   -0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3047    0.4302   -0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8502   -1.0464    0.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869   -1.5840    0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3118    0.8684   -0.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7979   -0.9234   -0.2849 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