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
    1.6335    1.7704    0.4865 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7050    0.0320    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530   -0.5091   -0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2029   -1.7219   -0.3578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7944    0.3691    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0136   -0.1285   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3277   -0.0612   -0.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2634   -0.5013    0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6447    1.4141    0.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8864    0.5010   -0.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1464   -1.1648   -0.3740 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