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
   -1.2401   -0.2071   -1.8688 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5047    0.1219   -0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3699    0.1657    0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.4311    1.9420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0280   -0.0137    0.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6006   -0.2850   -0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0062    1.1398   -0.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2304   -0.6336    0.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7073    0.0787    1.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -0.3873   -1.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7130   -0.4104   -0.6488 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