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
   -1.4410    1.6789   -0.7480 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3479    0.2770    0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4935   -0.8043   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0485   -1.9171   -0.4566 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9363   -0.6633   -0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5506    0.4689   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9422    0.6327    1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.0731    0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5399   -1.4943   -0.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    0.5473   -0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0205    1.3473    0.3460 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