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
    2.9721    0.0206   -0.4623 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3225    0.2723    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3519   -0.4643   -0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7533   -1.1392   -1.6450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0661   -0.4312   -0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5259    0.2720    0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103    1.3645    0.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3245   -0.0815    1.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7876   -0.9665   -1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5775    0.3028    0.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8775    0.8504    1.2721 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