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
    2.2290   -0.3705    1.1652 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6763    0.1788   -0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1979    0.1837   -0.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2773    0.5651   -1.6319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6628   -0.2318    0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9730   -0.2144    0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759   -0.3875   -1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962    1.2496   -0.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2829   -0.5636    1.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4338    0.1054   -0.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6456   -0.5149    1.1906 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