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
    3.1083    0.1617   -0.3095 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5600   -0.2420    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4392    0.1287   -0.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899    0.6564   -1.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9562   -0.0973   -0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9307    0.2391   -0.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4088    0.2827    1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5664   -1.3596    0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202   -0.5539    0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9600    0.0890   -0.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7055    0.6952   -1.8181 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