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
   -3.0370    0.5591    0.1772 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266   -0.4314   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4152    0.2856    0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909    1.4101    0.7270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9306   -0.2802   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012    0.3760    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5938   -0.6520   -1.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6918   -1.3578    0.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0474   -1.2357   -0.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8953    1.3346    0.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9807   -0.0084    0.1665 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