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
    1.9664    1.3088    1.0608 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4088    0.0308   -0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3081   -0.7627    0.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6372   -1.7761    1.2025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0906   -0.4269    0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.6375   -0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0767    0.4563   -1.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2993   -0.5977   -0.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8372   -1.0483    0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7760    1.2976   -0.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5179    0.8807   -0.3978 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